Results 111 to 120 of about 22,598 (262)

Numerical studies of size effects on resistivity in an oxidized CuAl2 film

Applied Physics Express
By atomistic simulations, we investigated effects of oxidation on resistivity of CuAl _2 , which is expected to be a new interconnect material. Cu/Al/O reactive force field was developed for molecular dynamics (MD) simulations of CuAl _2 oxidation.
Takahisa Tanaka
doaj   +1 more source

Atomistic Simulation of Flow-Induced Microphase Separation and Crystallization of an Entangled Polyethylene Melt Undergoing Uniaxial Elongational Flow and the Role of Kuhn Segment Extension. [PDF]

Polymers (Basel), 2023
Nafar Sefiddashti MH, Edwards BJ, Khomami B.   +2 more
europepmc   +1 more source

Active Corrosion Protection of Sintered AA7075 Aluminum Alloy via Mn Powder Addition

Advanced Engineering Materials, EarlyView.
AA7075 containing Mn‐rich particles is fabricated via spark plasma sintering using AA7075 and Mn powders. Corrosion resistance is evaluated through dip‐and‐dry tests using 0.1 M NaCl (pH 6.0), and mass loss decreases with increasing Mn addition. Mn‐rich particles function as a source of Mn ions, and formation of Mn‐accumulation films on Cu‐containing ...
Ko Ebina, Masashi Nishimoto, Izumi Muto
wiley   +1 more source

Atomistic Simulation of Microstructural Evolution of Ni_50.8Ti Wires during Torsion Deformation. [PDF]

Materials (Basel), 2021
Liu S, Lin Y, Wu T, Wang G.
europepmc   +1 more source

Influence of Scan Strategies in Electron Beam Powder Bed Fusion on Solidification, Microstructure, and High‐Temperature Compressive Properties of γ′‐Strengthened Inconel 738LC

Advanced Engineering Materials, EarlyView.
Experiments and thermophysical simulations were conducted to investigate the electron beam powder bed fusion electron beam (PBF‐EB/M) process for the γ′‐strengthened nickel‐based superalloy Inconel 738LC. The results demonstrate the impact of process‐induced microstructural variations on high‐temperature mechanical behavior, providing a basis for ...
Jan Niklas Petenati, Karthik Kumar Banku, Prasanth Bondi, Ivan Zhirnov, Yangyiwei Yang, Gordon Schmidt, Jürgen Christen, Georg Hasemann, Manja Krüger, Bai‐Xiang Xu, Bilal Gökce, Silja‐Katharina Rittinghaus   +11 more
wiley   +1 more source

Atomistic simulation study of Li5GaO4 for lithium-ion batteries

AIP Advances
The advancement of rechargeable batteries for electronic devices requires continuous development of innovative materials for anodes, cathodes, and electrolytes. Li5GaO4 stands out as a promising electrode material for lithium-ion batteries, demonstrating
Sathiyamoorthy Mathushan, Poobalasingam Abiman, Poobalasuntharam Iyngaran, Navaratnarajah Kuganathan   +3 more
doaj   +1 more source

Atomistic Simulation of Lysozyme in Solutions Crowded by Tetraethylene Glycol: Force Field Dependence. [PDF]

Molecules, 2022
Liu D, Qiu Y, Li Q, Zhang H.
europepmc   +1 more source

External and Internal Cracking Caused by Heat Treatment in Laser Powder Bed Fusion‐Fabricated Inconel 738LC Components

Advanced Engineering Materials, EarlyView.
Manufacturing problems such as heat treatment‐induced cracking hinder the widespread application of the laser powder bed fusion (LPBF) process to superalloys. In this study, cracks in the LPBF components of Inconel 738LC superalloy are characterized after heat treatment at various temperature ranges, revealing two distinct cracking behaviors.
Kosuke Kuwabara, Masahiro Kusano, Ayako Ikeda, Toshio Osada, Makoto Watanabe   +4 more
wiley   +1 more source

On the Effect of Creep on Local Lattice Orientation in Single‐Crystal Ni‐Based Superalloy Microstructures

Advanced Engineering Materials, EarlyView.
During creep of a single‐crystal Ni‐based superalloy, the overall crystal orientation is observed to remain constant while the microstructure evolves. Despite the lack of macroscopic rotation, small (<1°) rotations are observed on the submicron size scale and are accommodated by counteracting rotations over the scale of several micrometers.
E. J. Payton, E. B. Dursun, G. Eggeler, L. Agudo Jácome   +3 more
wiley   +1 more source

Interactions Between Nucleosomes: From Atomistic Simulation to Polymer Model. [PDF]

Front Mol Biosci, 2021
Zhang C, Huang J.
europepmc   +1 more source