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	<title>materials science &#8211; Science</title>
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	<title>materials science &#8211; Science</title>
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		<title>A Porous Five-Metal Alloy Boosts Acidic Hydrogen Production</title>
		<link>https://scienmag.com/a-porous-five-metal-alloy-boosts-acidic-hydrogen-production/</link>
		
		<dc:creator><![CDATA[Neil Sanderson]]></dc:creator>
		<pubDate>Fri, 28 Aug 2026 23:10:21 +0000</pubDate>
				<category><![CDATA[Chemistry]]></category>
		<category><![CDATA[acidic electrolysis]]></category>
		<category><![CDATA[advanced catalyst design for water electrolysis]]></category>
		<category><![CDATA[architecture]]></category>
		<category><![CDATA[continuous metal skeleton for electrical conductivity]]></category>
		<category><![CDATA[cost-effective hydrogen generation materials]]></category>
		<category><![CDATA[durable acid electrolysis electrode]]></category>
		<category><![CDATA[Electrocatalysis]]></category>
		<category><![CDATA[electrochemical]]></category>
		<category><![CDATA[electrochemical etching]]></category>
		<category><![CDATA[electrochemical etching for electrode surface roughening]]></category>
		<category><![CDATA[Engineering]]></category>
		<category><![CDATA[five-metal alloy hydrogen production]]></category>
		<category><![CDATA[green hydrogen]]></category>
		<category><![CDATA[high entropy alloys]]></category>
		<category><![CDATA[high-performance hydrogen evolution in sulfuric acid]]></category>
		<category><![CDATA[hydrogen evolution]]></category>
		<category><![CDATA[interconnected porous electrode design]]></category>
		<category><![CDATA[long-term stability of porous alloy electrodes]]></category>
		<category><![CDATA[materials science]]></category>
		<category><![CDATA[non-platinum hydrogen evolution catalyst]]></category>
		<category><![CDATA[Pore]]></category>
		<category><![CDATA[porous electrodes]]></category>
		<category><![CDATA[Porous high-entropy alloy for hydrogen evolution]]></category>
		<category><![CDATA[sustainable hydrogen production via electrochemical water splitting]]></category>
		<guid isPermaLink="false">https://scienmag.com/?p=184107</guid>

					<description><![CDATA[A self-supported porous MnFeCoNiCu high-entropy alloy efficiently catalyzed acidic hydrogen evolution for 100 hours after its pore network and surface were engineered.]]></description>
										<content:encoded><![CDATA[<p>A self-supporting alloy made from five relatively abundant metals has delivered efficient hydrogen evolution in a strongly acidic electrolyte, pointing to a possible route toward electrodes that are simpler, more durable and less dependent on platinum. The material, a high-entropy alloy containing manganese, iron, cobalt, nickel and copper, was engineered with an interconnected network of pores and then electrochemically etched to roughen its surface. In tests, the optimized electrode required an overpotential of 76.7 millivolts to reach a current density of −10 milliamperes per square centimetre and 173.8 millivolts at −50 milliamperes per square centimetre. It also operated for 100 hours in 0.5-molar sulfuric acid while retaining its porous framework. The findings, reported in <i>Advances in Industrial and Engineering Chemistry</i>, highlight a central challenge in catalyst design: creating more surface area is not enough. The pathways through a porous electrode must remain connected, while the metal skeleton must stay sufficiently continuous to conduct electricity and withstand gas production.</p>
<p>Hydrogen production by water electrolysis is attractive because renewable electricity can be converted into high-purity hydrogen without directly emitting carbon during the electrochemical step. Acidic electrolysis offers an important technical advantage: the abundance of protons can support rapid hydrogen evolution at the cathode. But acidic conditions are also harsh on many non-precious materials, accelerating corrosion, dissolution or changes in surface chemistry. Platinum remains the benchmark catalyst because it binds hydrogen near the balance required for fast adsorption and release, but its cost and limited availability complicate large-scale deployment. Researchers have therefore explored high-entropy alloys, materials containing several principal elements rather than one dominant metal. Their atoms create a broad range of local environments, lattice distortions and electronic interactions, potentially producing multiple types of catalytic site and improving the ability to tune hydrogen binding. The new study addresses another practical limitation: many high-entropy alloy catalysts are powders that need binders, conductive additives and separate supports, all of which can add resistance and create mechanically weak interfaces.</p>
<p>The team instead designed the alloy as a self-supported electrode, so the catalyst also serves as its own electrically conductive framework. Elemental powders of manganese, iron, cobalt, nickel and copper, each with a reported purity of 99.9 percent, were mixed in approximately equal proportions and mechanically alloyed in a planetary ball mill for 10 hours at 200 revolutions per minute. X-ray diffraction showed that the separate elemental reflections gradually disappeared during milling and were replaced by the characteristic reflections of a face-centered cubic alloy. After 10 hours, the main diffraction peaks appeared at 43.4, 50.4 and 74.2 degrees, corresponding to the alloy&#8217;s (111), (200) and (220) planes. The broadened reflections were consistent with refined crystallites and lattice distortion generated by mechanical alloying. Electron microscopy and elemental mapping further indicated that manganese, iron, cobalt, nickel and copper were broadly distributed through the particles rather than forming obvious segregated regions. Measured contents were close to equiatomic, at 19.62 weight percent manganese, 18.61 percent iron, 19.64 percent cobalt, 19.66 percent nickel and 20.90 percent copper.</p>
<p>To create the pores, the researchers mixed the alloy powder with particles of poly(methyl methacrylate), or PMMA. The polymer acted as a sacrificial space holder: the mixture was pressed into pellets and sintered at 1,000 degrees Celsius for 10 minutes in a hydrogen atmosphere, causing the PMMA to be removed while the alloy particles consolidated into a continuous metallic body. Three alloy-to-PMMA volume ratios were examined: 3:1, 2:1 and 1:1. Increasing the amount of polymer increased overall porosity, but the resulting structures behaved differently. At 3:1, the pores created during polymer removal were mostly isolated, limiting the movement of electrolyte and the escape of hydrogen bubbles. At 1:1, the larger polymer fraction encouraged pores to merge, producing large interconnected voids and thinner metal walls. That structure had the highest porosity, but the coalesced pores reduced the available pore-wall area and weakened the framework. The 2:1 composition provided the most useful compromise, combining a connected pore network with enough continuous metal to preserve mechanical and electrical integrity.</p>
<p>The researchers then used electrochemical etching to activate the pore walls. The porous electrodes were subjected to 500 consecutive linear-sweep scans in 0.5-molar sulfuric acid, across a potential range of −0.5 to 0 volts relative to the reversible hydrogen electrode. This treatment left the bulk face-centered cubic structure intact but visibly roughened the surfaces inside and around the pores. Transmission electron microscopy indicated a more open and irregular internal morphology after etching, while high-resolution images continued to show the alloy lattice, including an interplanar spacing of 0.18 nanometres associated with the (200) plane. Elemental mapping showed that the five metals remained broadly distributed. X-ray photoelectron spectroscopy revealed changes in near-surface chemical states, including lower relative contributions from metallic cobalt, nickel and iron and a more prominent metallic copper contribution after etching. The measurements indicated surface chemical redistribution, but they did not by themselves prove that one element had selectively dissolved or that the surface had become enriched in copper. That distinction matters because the treatment improved the surface without producing a detectable bulk phase transformation.</p>
<p>Electrochemical measurements showed why the architecture mattered. At −10 milliamperes per square centimetre, the etched 2:1 electrode needed an overpotential of 76.7 millivolts. The corresponding values were 83.4 millivolts for the 1:1 porous electrode, 83.9 millivolts for the 3:1 version and 114.7 millivolts for a dense alloy pellet subjected to the same etching treatment. The porous electrode also produced the lowest Tafel slope among the high-entropy alloy samples, 76.1 millivolts per decade, compared with 95.3 for the 1:1 structure, 93.1 for the 3:1 structure and 126.4 for the dense pellet. A commercial platinum-on-carbon electrode recorded 28.7 millivolts per decade under the study conditions, confirming that platinum remained kinetically superior in the comparison. Still, the results showed that the 2:1 architecture substantially improved the non-precious alloy&#8217;s reaction kinetics. Electrochemical impedance measurements found that it had the lowest fitted charge-transfer resistance among the porous samples, while capacitance measurements indicated a larger electrochemically accessible interface.</p>
<p>The capacitance results help explain why the dense pellet, despite having a lower fitted charge-transfer resistance than the optimized porous electrode, performed less well overall. The electrochemical double-layer capacitance values were 35.2 millifarads per square centimetre for the etched dense pellet, 40.5 for the 1:1 porous structure, 63.6 for the 2:1 structure and 42.8 for the 3:1 structure. In this type of measurement, a larger capacitance is commonly used as an estimate of a greater electrochemically accessible surface area. The interconnected 2:1 network allowed acid to penetrate the electrode and exposed more roughened metal to the reaction, while its continuous framework maintained electrical pathways. The pores may also have helped hydrogen bubbles detach from the surface instead of blocking active sites. This combination is important because catalyst performance depends on more than the intrinsic speed of the reaction at an individual site. It also depends on how many sites the electrolyte can reach, how efficiently electrons travel through the electrode and how readily reactants and products move through the structure. The work therefore presents pore connectivity and framework continuity as design variables rather than secondary consequences of increasing porosity.</p>
<p>Durability tests provided encouraging, though still laboratory-scale, evidence of structural resilience. The optimized electrode was held at −0.1 volts versus the reversible hydrogen electrode for 100 hours in 0.5-molar sulfuric acid. Its current fluctuated as hydrogen bubbles formed and detached, but the average current density remained generally stable. After the test, scanning electron microscopy showed that the porous metallic framework was still intact. Surface spectroscopy did reveal chemical changes: higher-valence manganese, iron and nickel species made a larger contribution after prolonged operation, consistent with partial surface oxidation under the test conditions. Cobalt appeared as cobalt(II) and cobalt(III), copper as both metallic copper and copper(II), iron as metallic iron, iron(II) and iron(III), and manganese in several oxidation states. These changes were concentrated in the surface chemistry rather than accompanied by a detectable collapse of the alloy&#8217;s bulk structure. The authors describe the result as evidence that the combination of controlled pore architecture and electrochemical activation can produce a self-supported high-entropy alloy capable of sustained acidic hydrogen evolution, while also emphasizing that future development will need to address scale-up, longer testing and operation under practical electrolyzer conditions.</p>
<p>The alloy composition was not selected solely for convenience. The study considered hydrogen-binding characteristics, binary mixing enthalpies and CALPHAD-based phase predictions when evaluating manganese, iron, cobalt, nickel and copper as the principal elements. That design approach reflects a broader objective in high-entropy electrocatalysis: using compositional complexity to create a distribution of surface environments while retaining a phase that can be processed into a mechanically coherent electrode. Mechanical alloying further provided a route to combine the elemental powders before pore formation, rather than relying on a deposited catalyst layer.</p>
<p>Because the same electrochemical etching protocol was applied to the dense pellet and each porous composition, the comparison more directly separates the contribution of architecture from that of surface activation. Even so, the reported activity should be interpreted within the study&#8217;s measurement framework. Overpotential and Tafel slope describe polarization behavior under specified laboratory conditions; they do not alone establish energy efficiency, gas purity, projected lifetime or performance in a complete electrolyzer. The 100-hour test demonstrates persistence of the framework in sulfuric acid, while the observed changes in surface oxidation states indicate that the working interface is chemically dynamic. Longer tests, analysis of dissolved metals and evaluation at industrially relevant current densities would help determine whether the architecture remains advantageous during practical operation.</p>
<p><strong>Subject of Research:</strong> Porous MnFeCoNiCu high-entropy alloy electrodes for acidic hydrogen evolution</p>
<p><strong>Article Title:</strong> Pore architecture engineering and electrochemical surface activation of a self-supported MnFeCoNiCu high-entropy alloy for efficient acidic hydrogen evolution</p>
<p><strong>Article References:</strong> Kwon, T., Moon, S., Roh, K.-M., Kim, S., &amp; Lee, D. (2026). Pore architecture engineering and electrochemical surface activation of a self-supported MnFeCoNiCu high-entropy alloy for efficient acidic hydrogen evolution. <em>Advances in Industrial and Engineering Chemistry, 2</em>(1), Article 11. <a href="https://doi.org/10.1007/s44405-026-00051-2" rel="noopener noreferrer">https://doi.org/10.1007/s44405-026-00051-2</a></p>
<p><strong>Image Credits:</strong> AI Generated</p>
<p><strong>DOI:</strong> <a href="https://doi.org/10.1007/s44405-026-00051-2" rel="noopener noreferrer">10.1007/s44405-026-00051-2</a></p>
<p><strong>Keywords:</strong> hydrogen evolution, high-entropy alloys, acidic electrolysis, electrocatalysis, porous electrodes, electrochemical etching, green hydrogen, materials science, Pore, architecture, engineering, electrochemical</p>
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		<post-id xmlns="com-wordpress:feed-additions:1">184107</post-id>	</item>
		<item>
		<title>UCLA Research Challenges Textbook Theory of Crystal Formation</title>
		<link>https://scienmag.com/ucla-research-challenges-textbook-theory-of-crystal-formation/</link>
		
		<dc:creator><![CDATA[Bethany Barker]]></dc:creator>
		<pubDate>Tue, 25 Aug 2026 23:58:24 +0000</pubDate>
				<category><![CDATA[Chemistry]]></category>
		<category><![CDATA[atomic-scale transition in nuclei]]></category>
		<category><![CDATA[challenges to traditional nucleation models]]></category>
		<category><![CDATA[classical nucleation theory]]></category>
		<category><![CDATA[crystal formation in nanoparticles]]></category>
		<category><![CDATA[disorder-to-order transition]]></category>
		<category><![CDATA[high entropy alloys]]></category>
		<category><![CDATA[materials science]]></category>
		<category><![CDATA[medium-entropy alloys]]></category>
		<category><![CDATA[nanoparticle crystallization]]></category>
		<category><![CDATA[Nature Materials publication]]></category>
		<category><![CDATA[phase transition mechanisms]]></category>
		<category><![CDATA[UCLA research on crystal growth]]></category>
		<guid isPermaLink="false">https://scienmag.com/ucla-research-challenges-textbook-theory-of-crystal-formation/</guid>

					<description><![CDATA[For more than a century, scientists have relied on classical nucleation theory to explain how matter begins to change phase. Whether water droplets condense from vapor, liquid freezes into ice, or a metal solidifies into a crystal, the theory describes the first ordered clusters—known as nuclei—that emerge inside otherwise disordered material. Its central idea is [&#8230;]]]></description>
										<content:encoded><![CDATA[<p>For more than a century, scientists have relied on classical nucleation theory to explain how matter begins to change phase. Whether water droplets condense from vapor, liquid freezes into ice, or a metal solidifies into a crystal, the theory describes the first ordered clusters—known as nuclei—that emerge inside otherwise disordered material. Its central idea is deceptively simple: a nucleus must grow beyond a critical size before it becomes stable, and the atoms inside it are expected to form a relatively uniform crystal surrounded by a sharp boundary separating order from disorder. Thousands of experiments have supported the theory’s central equation. But a new study led by researchers at UCLA suggests that this long-standing picture may be incomplete. Instead of forming as sharply defined miniature crystals, nuclei appear to develop through a gradual atomic-scale transition, with order increasing continuously toward their centers.</p>
<p>The research, published in <em>Nature Materials</em>, examined crystal formation in nanoparticles made from high- and medium-entropy alloys. These materials contain several metallic elements in roughly comparable proportions, unlike conventional alloys such as steel, which are dominated by one principal element. Their chemically complex and highly disordered atomic environments make them challenging systems for studying how crystals emerge. They also offer an unusually revealing setting because the atoms do not begin in a simple, uniform arrangement. By observing thousands of nuclei at different stages of development, the researchers were able to test whether the classical model’s assumption of a uniform crystal core and abrupt interface accurately reflects what happens in real materials.</p>
<p>The team developed a strategy for effectively freezing the nucleation process in place. The nanoparticles were heated to temperatures above 3,000 degrees Fahrenheit and then supercooled, dropping from extreme heat to room temperature within a few hundredths of a second. During this rapid thermal journey, crystal nuclei began to form, but the sudden cooling arrested them at different stages of growth. This created a collection of atomic snapshots representing early, intermediate and more advanced nuclei. Because the actual nucleation event occurs far faster than conventional data acquisition, directly watching a single nucleus form is extraordinarily difficult. By stopping many particles at different moments, however, the researchers transformed a fleeting process into a large statistical dataset.</p>
<p>They then used atomic electron tomography, an advanced three-dimensional imaging technique capable of mapping the positions of individual atoms within a nanoparticle. The method allowed the researchers to reconstruct each particle atom by atom and calculate how strongly ordered different regions were. In total, the study analyzed more than 8,000 nuclei, ranging from clusters containing fewer than 10 atoms to structures containing more than 1,000. Rather than finding a consistent crystalline region with a clean outer surface, the researchers observed a striking gradient. The innermost portion of each nucleus displayed the highest degree of crystallinity, while atomic order gradually declined with distance from the center. The transition into the surrounding disordered material was diffuse rather than sharply defined.</p>
<p>“The crystals were not uniform with a sharp boundary from the disordered atoms around them, as predicted by classical nucleation theory,” said corresponding author Jianwei “John” Miao, a professor of physics and astronomy at UCLA and a member of the California NanoSystems Institute. “Instead, we saw a gradient. Every nucleus had a core of highest crystallinity and then became more disordered as you go from that core to the boundary.” The observation challenges one of the most familiar visual images in materials science: a small, perfectly formed crystal embryo surrounded by atoms that have not yet joined it. In the new picture, the nucleus is more like a continuously evolving landscape, in which the distinction between crystal and non-crystal becomes progressively less certain as one moves outward.</p>
<p>To describe this behavior, the researchers introduced what they call the gradient nucleation pathways model. The model extends classical nucleation theory by allowing the degree of atomic order to vary throughout a nucleus. Classical theory remains within the new framework as a special limiting case: if the gradient is replaced by a perfectly uniform crystalline interior and a sharp interface, the classical results are recovered. Yet the experiments indicate that this idealized condition may rarely occur in the systems examined. The revised model therefore treats nucleation not as the sudden appearance of a finished miniature crystal, but as a multistep pathway through intermediate structures whose atomic order changes gradually.</p>
<p>This distinction also alters the way scientists think about the energy barrier involved in nucleation. In classical theory, forming a stable nucleus requires a system to overcome a sharply defined energetic obstacle. Small clusters are energetically unfavorable because creating an interface between ordered and disordered matter costs energy; only clusters that surpass a critical size can continue growing. The UCLA-led analysis suggests that the transition may instead involve a series of intermediate states. Miao compared the conventional energy barrier to a wall that must be climbed, while the gradient pathway resembles a ladder that allows matter to move upward through multiple smaller steps. If the system can pass through partially ordered configurations, nuclei may overcome the overall barrier more efficiently than the classical picture predicts.</p>
<p>The study also uncovered an unexpected pattern in how nuclei grow and eventually combine. As nuclei increased in size, their central regions became more highly ordered, indicating that crystallinity strengthens from the inside outward rather than appearing all at once. When separate nuclei approached one another, many were already oriented in nearly the same direction, even before they merged. Crystal orientation describes the alignment of atomic planes and axes, and matching orientations can make the final coalescence energetically easier. The observation suggests that neighboring nuclei may interact over short distances or follow correlated low-energy pathways during formation. Instead of growing independently and colliding randomly, they may become partially coordinated before joining into a larger crystal.</p>
<p>The implications extend well beyond the particular alloys used in the experiments. Nucleation is a universal step in processes ranging from cloud formation and ice growth to pharmaceutical crystallization, food production, semiconductor fabrication and the manufacture of structural metals. A more realistic description of how nuclei form could help scientists control when and where materials crystallize, as well as the size, orientation and properties of the resulting crystals. High- and medium-entropy alloys are especially attractive for engineering because their unusual compositions can produce combinations of strength, flexibility, thermal stability and catalytic activity. Understanding their earliest structural transformations could guide the design of more durable components, more efficient catalysts and advanced materials for demanding environments.</p>
<p>The researchers emphasize that their model is intended to apply broadly to nucleation systems, not only complex metallic nanoparticles. If gradients in order are common, they could influence models of freezing, condensation, precipitation and phase separation across physics, chemistry, Earth science and engineering. The ability to map atomic structures in three dimensions also opens a new experimental route for testing theories that previously relied heavily on indirect measurements. Classical nucleation theory is not discarded by the findings; rather, it is placed within a more general framework that recognizes the complexity of real atomic arrangements. “We believe this work will change how researchers think about nucleation,” Miao said, expressing hope that textbooks will eventually be revised. By revealing that crystals may begin not as sharply bounded objects but as smoothly evolving patterns of order, the study offers a fresh view of one of nature’s most fundamental transformations.</p>
<p><strong>Subject of Research</strong>: Crystal nucleation and growth in high- and medium-entropy alloy nanoparticles; atomic-scale mechanisms of phase transitions.</p>
<p><strong>Article Title</strong>: Crystal nucleation and growth in high-entropy alloys revealed by atomic electron tomography</p>
<p><strong>News Publication Date</strong>: 25-Aug-2026</p>
<p><strong>Web References</strong>: <a href="https://www.nature.com/articles/s41563-026-02727-y">https://www.nature.com/articles/s41563-026-02727-y</a></p>
<p><strong>References</strong>: <em>Nature Materials</em>; UCLA; California NanoSystems Institute; U.S. Department of Energy, Office of Science, Basic Energy Sciences program.</p>
<p><strong>Image Credits</strong>: Miao Lab/UCLA</p>
<h4><strong>Keywords</strong></h4>
<p>Crystal nucleation, phase transitions, atomic electron tomography, high-entropy alloys, medium-entropy alloys, crystallography, materials science, nanotechnology, solid-state physics, UCLA, crystal growth, nucleation theory</p>
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		<post-id xmlns="com-wordpress:feed-additions:1">181950</post-id>	</item>
		<item>
		<title>NEP89 enables universal neuroevolution for 89 inorganic and organic elements</title>
		<link>https://scienmag.com/nep89-enables-universal-neuroevolution-for-89-inorganic-and-organic-elements/</link>
		
		<dc:creator><![CDATA[Denise Maddox]]></dc:creator>
		<pubDate>Wed, 08 Jul 2026 23:10:36 +0000</pubDate>
				<category><![CDATA[Technology and Engineering]]></category>
		<category><![CDATA[atomistic simulations]]></category>
		<category><![CDATA[computational efficiency in materials modeling]]></category>
		<category><![CDATA[descriptor-space subsampling strategy]]></category>
		<category><![CDATA[efficient simulations of complex materials]]></category>
		<category><![CDATA[inorganic and organic element modeling]]></category>
		<category><![CDATA[interatomic potentials]]></category>
		<category><![CDATA[large-scale material property prediction]]></category>
		<category><![CDATA[materials science]]></category>
		<category><![CDATA[neuroevolution architecture]]></category>
		<category><![CDATA[neuroevolution potential]]></category>
		<category><![CDATA[quantum-level accuracy]]></category>
		<category><![CDATA[universal machine learning models]]></category>
		<guid isPermaLink="false">https://scienmag.com/nep89-enables-universal-neuroevolution-for-89-inorganic-and-organic-elements/</guid>

					<description><![CDATA[In a transformative advancement for materials science, researchers have unveiled NEP89, a universal neuroevolution potential model that bridges the long-standing gap between computational efficiency and accuracy in atomistic simulations. Unlike prior machine-learned interatomic potentials, which often suffer from either computational heaviness or limited material scope, NEP89 spans an impressive 89 elements, covering both inorganic and [&#8230;]]]></description>
										<content:encoded><![CDATA[<p>In a transformative advancement for materials science, researchers have unveiled NEP89, a universal neuroevolution potential model that bridges the long-standing gap between computational efficiency and accuracy in atomistic simulations. Unlike prior machine-learned interatomic potentials, which often suffer from either computational heaviness or limited material scope, NEP89 spans an impressive 89 elements, covering both inorganic and organic materials with remarkable precision.</p>
<p>Atomistic simulations traditionally rely on interatomic potentials to model the forces between atoms, providing insights into material properties at the quantum level. However, the most accurate potentials, often derived from quantum mechanical calculations, are prohibitively computationally expensive for large systems. Conversely, faster empirical potentials tend to lack the precision needed for complex or novel materials. NEP89, built upon the neuroevolution potential (NEP) architecture, strikes a new balance by delivering near-empirical-potential speed while maintaining nearly quantum-level accuracy.</p>
<p>This breakthrough was enabled through the curation of an extensive yet compact training dataset, achieved by an innovative descriptor-space subsampling strategy. Iterative refinement across multiple datasets ensured that the model’s training encompassed diverse material chemistries and configurations, thereby enhancing its universal applicability. The resulting model does not merely replicate accuracy benchmarks; it does so while being three to four orders of magnitude faster than existing foundation models, making it feasible to simulate previously unattainable large-scale systems at the atomic level.</p>
<p>NEP89’s versatility shines in a range of complex simulation scenarios. It has been successfully applied to million-atom compressions of compositionally complex alloys, revealing insights unattainable before due to computational constraints. Its utility extends to modeling ion diffusion in solid-state electrolytes and water, processes critical to battery and fuel cell technology. Additionally, NEP89 effectively captures phenomena such as rocksalt dissolution, methane combustion, and intricate protein-ligand interactions, demonstrating its potential to impact fields as diverse as catalysis and biochemistry.</p>
<p>Beyond its out-of-the-box capabilities, NEP89 supports fine-tuning for specialized applications, allowing researchers to tailor the potential for targeted studies. This adaptability is vital for probing mechanical, thermal, structural, and spectral properties in challenging material classes such as two-dimensional materials, metallic glasses, and organic crystals. As a result, NEP89 provides a flexible platform capable of addressing evolving research demands in materials science.</p>
<p>The advancement heralded by NEP89 offers a significant step toward universal and scalable atomistic modeling. By marrying speed and accuracy on a broad elemental palette, it paves the way for unprecedented exploration of material behaviors at scales and complexities previously beyond reach, potentially accelerating innovations in materials design and discovery.</p>
<p>This breakthrough underscores the growing role of machine learning and neuroevolution techniques in computational materials science, emphasizing how strategic data curation and algorithmic innovation can overcome longstanding trade-offs. As NEP89 becomes integrated into simulation toolkits, its impact will resonate across disciplines that rely on atomic-scale insights to drive technological progress.</p>
<p>With this development, NEP89 not only embodies a new benchmark in performance but also sets a visionary standard for the next generation of machine-learned potentials, promising to reshape the landscape of computational materials research.</p>
<hr />
<p><strong>Subject of Research</strong>: Universal machine-learned interatomic potentials for atomistic simulations across inorganic and organic materials</p>
<p><strong>Article Title</strong>: NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements</p>
<p><strong>Article References</strong>:<br />
Liang, T., Xu, K., Lindgren, E. et al. NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements. <em>Nat Comput Sci</em> (2026). <a href="https://doi.org/10.1038/s43588-026-01009-6">https://doi.org/10.1038/s43588-026-01009-6</a></p>
<p><strong>Image Credits</strong>: AI Generated</p>
<p><strong>DOI</strong>: <a href="https://doi.org/10.1038/s43588-026-01009-6">https://doi.org/10.1038/s43588-026-01009-6</a></p>
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		<post-id xmlns="com-wordpress:feed-additions:1">171138</post-id>	</item>
		<item>
		<title>Materials and Solidification (2025, Volume 1, Issue 2) Now Available – Promoting International Collaboration in Materials Solidification Research</title>
		<link>https://scienmag.com/materials-and-solidification-2025-volume-1-issue-2-now-available-promoting-international-collaboration-in-materials-solidification-research/</link>
		
		<dc:creator><![CDATA[Denise Maddox]]></dc:creator>
		<pubDate>Fri, 19 Sep 2025 15:21:02 +0000</pubDate>
				<category><![CDATA[Technology and Engineering]]></category>
		<category><![CDATA[academic collaboration in materials research]]></category>
		<category><![CDATA[advancements in solidification research]]></category>
		<category><![CDATA[crystalline materials with thermal properties]]></category>
		<category><![CDATA[high-caliber academic papers in materials]]></category>
		<category><![CDATA[industrial applications of crystalline materials]]></category>
		<category><![CDATA[material design and microstructural evolution]]></category>
		<category><![CDATA[materials science]]></category>
		<category><![CDATA[scholarly exchange in solidification theory]]></category>
		<category><![CDATA[solidification processes]]></category>
		<category><![CDATA[State Key Laboratory of Solidification Processing]]></category>
		<category><![CDATA[technological advancements in materials engineering]]></category>
		<category><![CDATA[Tsinghua University Press]]></category>
		<guid isPermaLink="false">https://scienmag.com/materials-and-solidification-2025-volume-1-issue-2-now-available-promoting-international-collaboration-in-materials-solidification-research/</guid>

					<description><![CDATA[Recently, a significant milestone has been achieved in the field of materials science with the official release of Volume 1, Issue 2 of the renowned journal Materials and Solidification. This academic publication is co-sponsored by the prestigious Tsinghua University Press and is academically supported by the State Key Laboratory of Solidification Processing at Northwestern Polytechnical [&#8230;]]]></description>
										<content:encoded><![CDATA[<p>Recently, a significant milestone has been achieved in the field of materials science with the official release of Volume 1, Issue 2 of the renowned journal <em>Materials and Solidification</em>. This academic publication is co-sponsored by the prestigious Tsinghua University Press and is academically supported by the State Key Laboratory of Solidification Processing at Northwestern Polytechnical University. Under the leadership of Editor-in-Chief Professor Jinshan Li and Executive Editor-in-Chief Professor Junjie Wang, both affiliated with the State Key Laboratory of Solidification Processing, the journal endeavors to create a vibrant academic exchange platform. It facilitates the sharing of pioneering research and technological advancements among scholars and engineers focused on the complex realms of solidification theory, material design, and microstructural evolution.</p>
<p>The latest issue of <em>Materials and Solidification</em> showcases a collection of high-caliber academic papers that delve into the forefront of research concerning solidification processes. Among these contributions is a comprehensive Review article that synthesizes recent advancements in understanding crystalline materials with unique thermal properties. Co-authored by a team of eminent researchers, including Yixiang Huang and Zhaojie Zhu, the Review article highlights the significance of these materials in various industrial applications, addressing their increasing relevance in modern technological environments.</p>
<p>In addition to the Review, the issue includes five rigorous Research Articles that represent diverse explorations within the field. One particularly noteworthy article investigates the preferred orientation and microstructure evolution of the Al3Ni phase in the Al–18 atom percent Ni alloy during directional solidification in a high magnetic field. This work, authored by Baoze Zhang and colleagues, provides new insights into the interplay between external magnetic fields and material properties, paving the way for enhanced control over solidification processes in practical applications.</p>
<p>Another Research Article, led by Yongjia Zhang and characterized by its innovative use of machine learning, tackles the complex problem of phase equilibrium prediction in multicomponent alloys through phase field simulations. This groundbreaking approach not only demonstrates the power of computational techniques in materials discovery but also opens new avenues for research in alloy design, ultimately promising enhanced material performance.</p>
<p>The issue further includes an investigation into the effects of SiC whiskers and AlPO4 particles on the durability of a bi-layer mullite/SiC coating subjected to rigorous burner rig tests. Authored by a diverse team including Tian Tian and Pengju Chen, this study presents experimental findings that could lead to advances in materials used in extreme environments, showcasing the importance of reinforcing materials for applications in combustion and aerospace engineering.</p>
<p>Environmental considerations are not overlooked, as one article addresses the onset mechanism of flash sintering dense 8YSZ, presenting findings that have implications for energy-efficient manufacturing processes. The research team led by Jinling Liu sheds light on the rapid sintering phenomenon that could revolutionize how materials are processed at high temperatures, offering invaluable insights for industries focused on reducing energy consumption during manufacturing.</p>
<p><em>Materials and Solidification</em> positions itself as a pivotal platform for communicating cutting-edge research from around the globe, particularly in the area of solidification technology. What sets this journal apart is its commitment to open access; all articles published are available for free, thereby broadening their reach and ensuring that the latest research findings can benefit the widest possible audience. This open-access model, sustained by Tsinghua University Press, significantly contributes to the dissemination of knowledge and the growth of the academic community’s understanding of materials science.</p>
<p>Moreover, the distinctiveness of the journal is amplified by its favorable submission policies. In 2025, the journal waives all Article Processing Charges for manuscripts submitted throughout the year, thereby alleviating financial burdens on researchers and promoting a more inclusive academic environment. This initiative encourages submissions from a diverse range of authors, enriching the academic pool and fostering collaboration among scientists from different backgrounds and institutions.</p>
<p>The journal actively invites submissions that encompass not only traditional research topics but also innovative ideas and interdisciplinary approaches. By broadening its scope to include fresh theories and critical insights in the field of materials solidification, <em>Materials and Solidification</em> appeals to a vast audience and positions itself as an essential contributor to the advancement of materials research.</p>
<p>As part of its future vision, <em>Materials and Solidification</em> aims to solidify its status as a leading international journal by regularly featuring high-quality studies that challenge conventional understanding and push the boundaries of what is known in materials science. With its high standards for peer review and commitment to rigor, the journal ensures that only the most significant contributions make it to publication, thus maintaining the integrity and academic excellence associated with Tsinghua University Press.</p>
<p>In a constantly evolving field like materials science, where advancements can emerge from unexpected collaborations across disciplines, the role of a dedicated journal cannot be understated. <em>Materials and Solidification</em> is poised to play a crucial role in shaping the landscape of solidification research, bridging gaps in knowledge, and inspiring future innovations that will undoubtedly lead to industrial developments, technological progress, and a sustainable future.</p>
<p>Its commitment to fostering academic dialogue among researchers and practitioners worldwide echoes the journal&#8217;s mission to not only highlight groundbreaking work but also to address pressing issues faced by the materials science community. By connecting researchers, engineers, and industrial experts, <em>Materials and Solidification</em> is paving the way for a dynamic exchange of ideas that will ultimately enhance technological advancements and drive progress in material applications for diverse fields, from aerospace to electronics.</p>
<p>In conclusion, the launch of Volume 1, Issue 2 marks a significant step forward for the field of materials solidification, presenting a wealth of knowledge and innovative research that will shape the future of the discipline. As contributors and readers alike engage with this vital resource, the journey toward deeper understanding and application of solidification theory promises exciting developments in the years to come.</p>
<p><strong>Subject of Research</strong>: Materials Solidification<br />
<strong>Article Title</strong>: Recently Published: Insights from Volume 1, Issue 2 of <em>Materials and Solidification</em><br />
<strong>News Publication Date</strong>: October 2023<br />
<strong>Web References</strong>: <a href="https://www.sciopen.com">Materials and Solidification Journal</a><br />
<strong>References</strong>: To be provided by original authors<br />
<strong>Image Credits</strong>: Tsinghua University Press</p>
<h4><strong>Keywords</strong></h4>
<p>Materials science, solidification theory, crystalline materials, alloy phase equilibrium, open access research.</p>
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		<title>Advancing Materials Design for a Smarter Future</title>
		<link>https://scienmag.com/advancing-materials-design-for-a-smarter-future/</link>
		
		<dc:creator><![CDATA[Reid Dalton]]></dc:creator>
		<pubDate>Thu, 26 Jun 2025 17:29:40 +0000</pubDate>
				<category><![CDATA[Mathematics]]></category>
		<category><![CDATA[advanced theoretical modeling]]></category>
		<category><![CDATA[challenges in material design]]></category>
		<category><![CDATA[computational simulations in materials science]]></category>
		<category><![CDATA[engineered metals and ceramics]]></category>
		<category><![CDATA[grain boundary migration]]></category>
		<category><![CDATA[grain growth mechanics]]></category>
		<category><![CDATA[internal mechanical stresses in materials]]></category>
		<category><![CDATA[materials science]]></category>
		<category><![CDATA[mean curvature flow]]></category>
		<category><![CDATA[microstructure evolution]]></category>
		<category><![CDATA[novel material design strategies]]></category>
		<category><![CDATA[polycrystalline materials behavior]]></category>
		<guid isPermaLink="false">https://scienmag.com/advancing-materials-design-for-a-smarter-future/</guid>

					<description><![CDATA[In the intricate world of materials science, understanding the behavior of polycrystalline materials—those composed of myriad tiny crystals called grains—has long presented a complex challenge. These materials permeate everything from natural rocks to engineered metals and ceramics, their properties intimately tied to the arrangement and dynamics of their constituent grains. A new breakthrough study by [&#8230;]]]></description>
										<content:encoded><![CDATA[<p>In the intricate world of materials science, understanding the behavior of polycrystalline materials—those composed of myriad tiny crystals called grains—has long presented a complex challenge. These materials permeate everything from natural rocks to engineered metals and ceramics, their properties intimately tied to the arrangement and dynamics of their constituent grains. A new breakthrough study by Marco Salvalaglio and his research team sheds unprecedented light on the mechanics governing grain growth, challenging classical theories and opening pathways to novel material design strategies.</p>
<p>Traditional models have long portrayed grain growth primarily through the lens of mean curvature flow (MCF), a mathematical framework describing how grain boundaries—interfaces where grains of differing orientations meet—evolve to reduce overall boundary energy. According to this model, grain boundaries migrate in a way that smooths and simplifies the microstructure, much like soap films minimizing their surface tension. While providing a solid foundation, such theories have proved insufficient in capturing the full spectrum of behaviors observed in polycrystalline materials, especially under real-world conditions involving internal stresses and complex deformation mechanisms.</p>
<p>Employing state-of-the-art computational simulations and sophisticated theoretical modeling, Salvalaglio’s team has demonstrated that internal mechanical stresses within the grains, emerging as grain boundaries move, play a pivotal role in steering microstructure evolution. Crucially, these stresses invoke a phenomenon known as “shear coupling,” wherein the migration of grain boundaries is entwined with local shear deformations, leading to grain growth behaviors markedly divergent from classical MCF predictions. This nuanced insight redefines how scientists understand the driving forces behind grain boundary migration.</p>
<p>The research leveraged phase-field simulations, a powerful computational approach capable of capturing the evolution of microstructures across thousands of grains with remarkable spatial and temporal resolution. By simulating a system comprising approximately 1000 grains, the team visualized how grain boundaries (depicted as black lines) separate domains with different crystal orientations (white regions), and how these boundaries migrate over time under varying conditions. Two principal simulation scenarios were examined: pure mean curvature flow and mean curvature flow supplemented with internal stresses, the latter displaying rich, complex dynamics emblematic of real polycrystalline behavior.</p>
<p>Detailed analysis revealed that under the influence of internal stresses, grain boundaries do not simply migrate to minimize curvature. Instead, their movement exhibits counter-curvature migration, where some boundaries move against the curvature gradient, an observation inconsistent with pure MCF. This behavior manifests as shear-coupled grain boundary motion, a mechanism whereby grain boundary migration is coupled to a shear deformation that is internally accommodated by the crystalline lattice. Such coupling fundamentally alters the kinetics and morphology of grain growth, underscoring the importance of mechanical stresses as modulators of microstructural evolution.</p>
<p>Shear coupling in polycrystalline materials distinguishes them from other complex systems like foams or emulsions, which typically exhibit grain or domain growth governed solely by curvature-driven boundary motion without sustaining mechanical deformation. Crystalline solids, by contrast, endure and respond to internal stresses, profoundly impacting their microstructural and mechanical behavior. These findings now offer a comprehensive framework for interpreting a wide array of previously puzzling experimental phenomena in metallurgy and materials engineering.</p>
<p>The implications of this research extend far beyond theoretical curiosity. Understanding the precise interplay between grain boundary migration, internal stresses, and shear coupling equips materials scientists and engineers with powerful tools to tailor polycrystalline microstructures deliberately. By controlling these dynamics, it becomes conceivable to design metals with enhanced strength, ceramics with improved toughness, or electronic materials with optimized conductivity—each tailored by manipulating grain growth pathways at the microscopic scale.</p>
<p>Marco Salvalaglio reflects on the significance of the work, noting that their continuum models have bridged glaring gaps between experimental observations and classical theories, offering a fundamental revision of long-standing assumptions in grain boundary migration. The research initiates a new paradigm where internal mechanical forces are integral to predicting and guiding microstructural evolution, marking a pivotal advance in the field.</p>
<p>This research also charts future directions, as the team plans to investigate how additional mechanisms such as plastic relaxation within grains interact with the shear-coupled migration phenomena. Moreover, extending the framework to multicomponent polycrystalline systems promises to unravel even more complex behaviors relevant to advanced alloy design and functional material development.</p>
<p>Through meticulous computational modeling corroborated with theoretical insights, the study redefines our fundamental grasp of polycrystalline materials’ behavior, spotlighting internal stresses not as mere byproducts but as active architects of microstructural change. This paradigm shift holds transformative potential for a vast swath of scientific and industrial applications, encouraging a new wave of innovation in materials design and engineering.</p>
<p>Ultimately, this research underscores the inseparability of mechanical and microstructural processes in crystalline materials. It challenges researchers to transcend classical frameworks and incorporate the multifaceted reality of stress-induced phenomena into their models and experiments. The insights gleaned here pave the way toward more predictive, adaptive, and efficient material systems that can better meet the demanding performance criteria of tomorrow’s technologies.</p>
<p>By moving beyond the idealized curvature-driven grain growth, Salvalaglio and his colleagues open a compelling chapter in materials science—one where grain boundaries are not passive interfaces but dynamic, stress-coupled entities shaping the destiny of materials at the most fundamental level.</p>
<hr />
<p><strong>Subject of Research</strong>: Polycrystalline materials and microstructure evolution under internal stresses and shear coupling.</p>
<p><strong>Article Title</strong>: Why grain growth is not curvature flow</p>
<p><strong>News Publication Date</strong>: 12-Jun-2025</p>
<p><strong>Web References</strong>: <a href="http://dx.doi.org/10.1073/pnas.2500707122" target="_blank">10.1073/pnas.2500707122</a></p>
<p><strong>Image Credits</strong>: Marco Salvalaglio/TUD</p>
<p><strong>Keywords</strong>: polycrystalline materials, grain growth, mean curvature flow, shear coupling, internal stresses, microstructure evolution, computational simulation, phase-field modeling</p>
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		<title>Reinventing Chain Mail: A New Era in Protective Materials</title>
		<link>https://scienmag.com/reinventing-chain-mail-a-new-era-in-protective-materials/</link>
		
		<dc:creator><![CDATA[Denise Maddox]]></dc:creator>
		<pubDate>Tue, 21 Jan 2025 21:41:27 +0000</pubDate>
				<category><![CDATA[Chemistry]]></category>
		<category><![CDATA[3D printing]]></category>
		<category><![CDATA[adaptive materials]]></category>
		<category><![CDATA[architected materials]]></category>
		<category><![CDATA[biomedical devices]]></category>
		<category><![CDATA[energy absorption]]></category>
		<category><![CDATA[fluid-solid hybrid]]></category>
		<category><![CDATA[material innovation]]></category>
		<category><![CDATA[materials science]]></category>
		<category><![CDATA[PAMs]]></category>
		<category><![CDATA[protective gear]]></category>
		<category><![CDATA[soft robotics]]></category>
		<category><![CDATA[structural adaptability]]></category>
		<guid isPermaLink="false">https://scienmag.com/reinventing-chain-mail-a-new-era-in-protective-materials/</guid>

					<description><![CDATA[In an exciting breakthrough in material science, researchers at Caltech have developed a groundbreaking type of matter known as polycatenated architected materials, or PAMs. Unlike conventional materials that exist either as granular or crystalline structures, PAMs uniquely exhibit properties of both. This innovative material responds to various physical stresses like a fluid in some scenarios [&#8230;]]]></description>
										<content:encoded><![CDATA[<p>In an exciting breakthrough in material science, researchers at Caltech have developed a groundbreaking type of matter known as polycatenated architected materials, or PAMs. Unlike conventional materials that exist either as granular or crystalline structures, PAMs uniquely exhibit properties of both. This innovative material responds to various physical stresses like a fluid in some scenarios while acting like a solid in others. This remarkable versatility holds immense promise for applications ranging from protective gear to biomedical devices and soft robotics.</p>
<p>PAMs are fundamentally distinct from the materials we usually encounter. While traditional materials can be differentiated as either solids or granular substances, PAMs transcend this duality. They can be likened to ancient technologies like chain mail, which consist of interlinked rings providing flexibility and resilience. However, PAMs take this concept to an entirely new level by utilizing advanced 3D printing techniques to produce materials that are light, multifunctional, and adaptable. These materials comprise intricate patterns of interlaced shapes that vary widely, resulting in unique behaviors that confound conventional material classifications.</p>
<p>In the pursuit of understanding PAMs, researchers in Chiara Daraio’s lab have explored the behavior of these materials through rigorous experimental methodologies. Using state-of-the-art 3D printing, they constructed PAM prototypes based on meticulous computer models that simulate lattice structures typically observed in crystals. However, the stark difference lies in their composition, as these prototypes utilize interconnected rings or cages that are free to move relative to one another, enabling a fluid-like response under certain stress conditions.</p>
<p>The research team, led by postdoctoral researcher Wenjie Zhou, subjected various PAM prototypes to a series of stress tests, including compression, shear forces, and twisting movements. Zhou&#8217;s findings revealed that PAMs behave intriguingly under stress—at times flowing like liquids when shearing forces are applied, while exhibiting solid-like rigidity when compressed. This dynamic behavior underscores the materials’ potential utility in fields requiring energy absorption and impact resistance, particularly in protective gear.</p>
<p>Notably, PAMs are not merely academic curiosities; they represent a significant advancement in the engineering of materials. Researchers have identified a broad spectrum of potential applications leveraging the materials’ properties. For instance, the energy-dissipation capabilities of PAMs could revolutionize the design of safety helmets or cushioning for various devices. Engineering these materials could lead to safer, more effective protective solutions compared to traditional foams, which often lack the same adaptive qualities.</p>
<p>Moreover, the ability of PAMs to respond to electrical charges and physical forces offers tantalizing possibilities in biomedical applications and soft robotics. Their unique structure allows for expansions or contractions in response to stimuli, potentially paving the way for innovative biomedical devices that can adjust to their environment or to patients&#8217; needs. This adaptability is particularly vital in an era where the integration of technology into healthcare is becoming increasingly prevalent.</p>
<p>The research into PAMs is poised on the cutting edge of material science, tapping into insights from decades of work in architected materials while also carving out a novel frontier. Chiara Daraio highlighted that while theories exist to understand granular and elastic materials, there is still much to learn about these hybrid structures. The study of PAMs opens the door for interdisciplinary approaches that blend engineering, physics, and materials science to explore this new paradigm.</p>
<p>The implications of PAM research are vast, and researchers envision exciting developments on the horizon. One key area of interest is the integration of artificial intelligence in the exploration and design of PAMs. The design space is vast and largely uncharted, and employing AI could significantly expedite the process of discovering new PAM configurations and applications.</p>
<p>As the proprietary research continues to unfold, the excitement surrounding PAMs is palpable. Various stakeholders, including military and medical sectors, are keeping a keen eye on these developments, eager to see how they can harness the unique properties of PAMs for practical use. This work not only represents a leap in theoretical understanding but also a tangible step toward real-world applications that could transform existing paradigms.</p>
<p>In conclusion, the development of polycatenated architected materials by the Caltech research team signifies a transformative moment in material science. The blend of unique properties challenging traditional distinctions between solid and fluid states may herald a new age of materials capable of adaptive behavior, yielding novel solutions across diverse fields. As studies progress, the journey of PAMs promises to unveil more secrets and potentials that are yet to be imagined, perhaps redefining how we approach material engineering in the future.</p>
<p>Understanding and manipulating the transition between fluid and solid states in PAMs will contribute not just to academic advancements but also beneficial transformations in practical applications. The amalgamation of robust mechanics with lightweight adaptability creates a pathway to innovate countless industries, all while inspiring future generations of scientists and engineers to push the boundaries of what materials can achieve.</p>
<p>As we look ahead, the research team stands at the forefront of material science, with their work published in the prestigious journal <em>Science</em> set to be one of many entries in what promises to be a continuously evolving narrative around PAMs and their unique functionalities. Excitement is building, and the door to incredible new advancements swings wide open.</p>
<p><strong>Subject of Research</strong>: 3D Poly-Catenated Architected Materials<br />
<strong>Article Title</strong>: 3D Poly-Catenated Architected Materials<br />
<strong>News Publication Date</strong>: 17-Jan-2025<br />
<strong>Web References</strong>: <a href="http://dx.doi.org/10.1126/science.adr9713">DOI: 10.1126/science.adr9713</a><br />
<strong>References</strong>: None provided<br />
<strong>Image Credits</strong>: Credit: Wenjie Zhou  </p>
<h4><strong>Keywords</strong></h4>
<p>Materials science, PAMs, adaptive materials, protective gear, biomedical devices, soft robotics, energy absorption, 3D printing, engineering, material engineering.</p>
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