Results 161 to 170 of about 10,019 (306)

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

Microstructure and antioxidation performance of porous Co-Al intermetallics synthesized by thermal explosion reaction under 1 °C/min heating rate. [PDF]

Sci Rep
Zhang J, Zhou D, Qiao L, Yu Y, Yang C, Kang X.   +5 more
europepmc   +1 more source

Wire arc additive manufacturing of ER5183 aluminium alloy. [PDF]

Sci Rep
Vignesh M, Sathishkumar M, Saiganesh S, Kaviya M, Anbuchezhiyan G.   +4 more
europepmc   +1 more source

Infrared Brazing Fe3Al Intermetallics Using the Cu Filler Metal

, 2011
Li, Y.; Shiue, R. K.; Wu, S.K.; Wu, L. M.
core   +1 more source

Nanoindentation and theoretical strength in metals and intermetallics

, 2002
The present contribution gives an account of applications of quantum-mechanical (first-principles) electronic structure calculations to the problem of theoretical strength in metals and intermetallics. First, we briefly describe the way of simulating the
Šob, Mojmír
core  

Dislocation core structures and slip strengths in B2 intermetallics [PDF]

Intermetallics have garnered significant attention for their potential as low-density, high-temperature load-bearing materials. Unfortunately, the fact that intermetallics are highly ordered arrangements of multiple elements, means there are very few ...
Mayer, Justin Andrew
core  

Tuning the Magnetic Phase Transitions in TbMn2‐xTixSi2 (x = 0–0.3)

Advanced Physics Research, EarlyView.
ABSTRACT Magnetocaloric materials receive considerable attention as promising candidates for next‐generation energy‐efficient and environmentally benign solid‐state refrigeration technologies. These materials exhibit the magnetocaloric effect (MCE), whereby heat is absorbed or released upon the application or removal of a magnetic field. In this study,
E. M. H. Arif, Wayne D Hutchison, ChinWei Wang, Jianli Wang, Zhi Li, Zhenxiang Cheng   +5 more
wiley   +1 more source

First-principles study on elastic properties of Cu, (Cu_1- <i>_x</i> ,Ni <i>_x</i> )₃Sn and interfacial mechanical properties of (Cu_1- <i>_x</i> ,Ni <i>_x</i> )₃Sn/Cu in the lead-free solder joint. [PDF]

Beilstein J Nanotechnol
Hua G.
europepmc   +1 more source

Beyond Activity: The Unified Framework of the Sabatier Principle to Guide Rational Design of Durable and Active Electrocatalysts

Carbon Energy, EarlyView.
In this review, a unified framework of the Sabatier principle is applied to a diverse range of catalytic and electrocatalytic systems for advanced clean energy technologies, with a particular focus on the oxygen reduction reaction (ORR). This approach will guide the design and development of highly active and stable catalysts for fuel cells ...
Wanying Zhang, Quan Zhou, Xuanxuan Bi, Luo Luo, Yunxiang Cheng, Rongyue Wang, Zhongwei Chen   +6 more
wiley   +1 more source

Topology Augmented with Geometry in the Assembly of Structural Databases: Kagome Intermetallics. [PDF]

Adv Sci (Weinh)
Gulay NL, Wen D, Griffiths JE, Clymo J, Daniels LM, Alaria J, Dyer MS, Claridge JB, Rosseinsky MJ.   +8 more
europepmc   +1 more source