Results 161 to 170 of about 4,959,776 (283)

Adsorption of Polyolefins from Alkanes on Alumina and Silica. [PDF]

open access: yesLangmuir
Motolani F   +7 more
europepmc   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

Effect of Neutron Irradiation on Transformation Temperatures of nearly Equi-Atomic Nitinol Alloys

open access: yes, 2000
The effect of neutron irradiation on shape memory alloys has been studied using electrical resistance measurements. The martensitic transformation start temperature (Ms) and the austenite start temperature (As) decreased markedly with increasing the ...
Al-Aql, A.A.
core  

Site‐Selective Anion‐Cation Regulation of Sulfide Electrolyte Enables Low‐Pressure Dendrite‐Suppressed All‐Solid‐State Lithium Metal Batteries

open access: yesAngewandte Chemie, EarlyView.
Site‐selective Al/F/Cl regulation couples sulfide‐framework stabilization with favorable interphase chemistry in argyrodite Li6PS5Cl. Al incorporation reinforces the redox‐sensitive tetrahedral framework, while F/Cl regulation promotes Li+ transport and guides the formation of a LiF/LiCl‐rich passivation interphase.
Xinxin Zhu   +6 more
wiley   +2 more sources

Autonomous AI‐Driven Design for Skin Product Formulations

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang   +5 more
wiley   +1 more source

Synergistic Cu–Co Sites Enabled Reversible H2 Storage and Release in Liquid Organic Hydrogen Carriers

open access: yesAngewandte Chemie, EarlyView.
One catalyst, two directions: reaction‐induced reconstruction converts copper‐cobalt‐ceria oxide (CuCoCeOx) into cooperative copper–cobalt oxide interfaces on oxygen‐deficient ceria (CeO2 − x). This self‐adaptive ensemble couples liquid organic hydrogen carrier (LOHC) adsorption and activation with reversible H2 cleavage and recombination, enabling ...
Qingju Wang   +15 more
wiley   +2 more sources

Pressure-Stabilized MnSb<sub>2</sub> with Complex Incommensurate Magnetic Order. [PDF]

open access: yesJ Phys Chem C Nanomater Interfaces
Xu M   +11 more
europepmc   +1 more source

From Data to Discovery: Machine Learning–Enabled Intelligent Characterization of Two‐Dimensional Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Machine learning serves as a central engine for the intelligent characterization of two‐dimensional materials by integrating multimodal techniques, including optical microscopy, spectroscopy, electron microscopy, and scanning probe microscopy (SPM). This unified framework enables automated, high‐throughput, and quantitative extraction of structural ...
Zhi‐Long Cao, Jia‐Xu Yan
wiley   +1 more source

Compositional and Structural Diversity in Cesium Superhydrides at High Pressure

open access: yesAngewandte Chemie, EarlyView.
Through high pressure‐high temperature diamond anvil cell experiments combined with density functional theory calculations, cesium is demonstrated to have remarkably complex and diverse hydride chemistry culminating in the formation of CsH25${\rm CsH}_{25}$, the most hydrogen‐rich metal hydride reported to date.
Mikhail A. Kuzovnikov   +7 more
wiley   +2 more sources

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