Results 111 to 120 of about 2,903,061 (286)

Engulfment and Pushing of Cylindrical Liquid Nano-Inclusion by Advancing Crystal/Melt Interface: An Atomistic Simulation Study. [PDF]

Nanomaterials (Basel), 2023
Perveen A, Liang H, Alexandrov DV, Umar Dad M, Yang Y.   +4 more
europepmc   +1 more source

Entropy‐Driven Design of Low‐Melting‐Point Alloys via Compositionally Complex Strategy

Advanced Engineering Materials, EarlyView.
Conventional low‐melting‐point alloys (LMPAs) are limited by a narrow compositional space and inherent property trade‐offs. This review presents an entropy‐driven design strategy that overcomes these limitations, ushering in a new class of low‐melting‐point compositionally complex alloys (LMCCAs).
Yinghui Shang, Jianxiang Zhao, Zhaoqi Chen, Hao Gong, Yinsen Yan, Junlei Tao, Yong Yang   +6 more
wiley   +1 more source

PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation. [PDF]

J Chem Theory Comput, 2023
Dufils T, Knijff L, Shao Y, Zhang C.
europepmc   +1 more source

Influence of TiC and TiN Ceramic Reinforcements on the Microstructure, Thermal Expansion Behavior, and Tensile Properties of Invar 36 Manufactured by Laser Powder Bed Fusion

Advanced Engineering Materials, EarlyView.
This study examines Invar composites reinforced with titanium carbide (TiC) and titanium nitride (TiN) using laser powder bed fusion (LPBF). It presents the influence of reinforcements on microstructure, tensile properties, and thermal expansion. Results show that TiC effectively strengthens Invar while maintaining low thermal expansion, whereas TiN ...
Ayodeji Nathaniel Oyedeji, Natasha Sacks, Johannes Pötschke, Björn Matthey   +3 more
wiley   +1 more source

Atomistic Simulation Informs Interface Engineering of Nanoscale LiCoO₂. [PDF]

Chem Mater, 2022
Dahl S, Aoki T, Banerjee A, Uberuaga BP, Castro RHR.   +4 more
europepmc   +1 more source

Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions

Advanced Functional Materials, EarlyView.
DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng, Qian Yao, Yanan Sun, Hongyu Lv, Zhongchao Bai, Guoliang Zhang, Nana Wang, Jian Yang   +7 more
wiley   +1 more source

All‐in‐One Analog AI Hardware: On‐Chip Training and Inference with Conductive‐Metal‐Oxide/HfOx ReRAM Devices

Advanced Functional Materials, EarlyView.
An all‐in‐one analog AI accelerator is presented, enabling on‐chip training, weight retention, and long‐term inference acceleration. It leverages a BEOL‐integrated CMO/HfOx ReRAM array with low‐voltage operation (<1.5 V), multi‐bit capability over 32 states, low programming noise (10 nS), and near‐ideal weight transfer.
Donato Francesco Falcone, Victoria Clerico, Wooseok Choi, Tommaso Stecconi, Folkert Horst, Laura Bégon‐Lours, Matteo Galetta, Antonio La Porta, Nikhil Garg, Fabien Alibart, Bert Jan Offrein, Valeria Bragaglia   +11 more
wiley   +1 more source

Atomistic Simulation of the Ion-Assisted Deposition of Silicon Dioxide Thin Films. [PDF]

Nanomaterials (Basel), 2022
Grigoriev FV, Sulimov VB, Tikhonravov AV.   +2 more
europepmc   +1 more source

Control of Polarization and Polar Helicity in BiFeO3 by Epitaxial Strain and Interfacial Chemistry

Advanced Functional Materials, EarlyView.
In BiFeO3 thin films, the interplay of interfacial chemistry, electrostatics, and epitaxial strain is engineered to stabilize homohelicity in polarization textures at the domain scale. The synergistic use of a Bi2O2‐terminated Aurivillius buffer layer and a highly anisotropic compressive epitaxial strain offers new routes to control the polar‐texture ...
Elzbieta Gradauskaite, Lilia Huynh, Natascha Gray, Quintin N. Meier, Marta D. Rossell, Morgan Trassin   +5 more
wiley   +1 more source

Effect of Al segregation on dislocation transmutation across {101¯2} twin boundaries in Mg: An atomistic simulation study

Journal of Magnesium and Alloys
Atomistic simulations were adopted to study the solute segregation effect on dislocation transmutation across the {101¯2} twin boundaries in magnesium.
Lang Liu, Xuan Luo, Konstantinos Papadikis, Yunchang Xin, Qing Liu   +4 more
doaj   +1 more source