Evaluation of grain boundary energy, structure and stiffness from phase field crystal simulations
KH Blixt, H Hallberg - … and Simulation in Materials Science and …, 2021 - iopscience.iop.org
A two-mode phase field crystal (PFC) model is employed to investigate the equilibrium
configurations of a range of grain boundaries in fcc-structured materials. A total of 80 …
configurations of a range of grain boundaries in fcc-structured materials. A total of 80 …
Modeling precipitation process of Al-Cu alloy in electron beam selective melting with a 3D cellular automaton model
In additive manufacturing (AM), the microstructure evolution is rather complex and plays a
critical role in the mechanical performance. To predict the microstructure, many numerical …
critical role in the mechanical performance. To predict the microstructure, many numerical …
Grain boundary relaxation induced ultrastrong-and-ductile bulk pure Ni
Both strength and ductility are essential for high-performance engineering structural
materials, thus great endeavors have been invested to solve the strength-ductility trade-off of …
materials, thus great endeavors have been invested to solve the strength-ductility trade-off of …
Structure and energy of symmetric tilt boundaries with the< 110> axis in Ni and the energy of formation of vacancies in grain boundaries
MG Urazaliev, ME Stupak, VV Popov - Physics of Metals and …, 2021 - Springer
Fourteen symmetric tilt boundaries with the< 110> axis in Ni have been investigated by
computer simulation with an embedded atom potential. The structures, energies, and widths …
computer simulation with an embedded atom potential. The structures, energies, and widths …
Molecular Dynamics Simulations of< 1010>/ψ Tilt grain boundaries in ice
CL Di Prinzio, RG Pereyra - 2016 - ri.conicet.gov.ar
In this paper, molecular dynamics simulations (MDS) of< 1010>/ψ symmetric tilt ice grain
boundaries are presented. The MDS were carried out using the GROMACS v4. 5.5 program …
boundaries are presented. The MDS were carried out using the GROMACS v4. 5.5 program …
The role of chromium and nickel on the thermal and mechanical properties of FeNiCr austenitic stainless steels under high pressure and temperature: a molecular …
A Hasanzadeh, A Hamedani, G Alahyarizadeh… - Molecular …, 2019 - Taylor & Francis
The effect of Cr and Ni content on thermo-mechanical properties of FeNiCr austenitic
stainless steel under ambient and high pressure and temperature were investigated by MD …
stainless steel under ambient and high pressure and temperature were investigated by MD …
Investigation of the temperature effect on the primary radiation damage near the grain boundary in tungsten using Molecular dynamics simulations
H Zhao, X Zeng, X Yang, W Chen, J Wu - Nuclear Instruments and Methods …, 2020 - Elsevier
Molecular dynamics (MD) simulations were conducted to investigate the influence of
temperature on primary radiation damage in tungsten (W). By investigating on the number of …
temperature on primary radiation damage in tungsten (W). By investigating on the number of …
[HTML][HTML] Simulating the Dynamics of Bimetallic Clusters Deposited onto a Surface Using Molecular Dynamics
A Rasulov, N Ibrokhimov, J Khodjimatov… - Journal of Applied …, 2024 - scirp.org
This paper examines the interface development between a single crystalline Ag matrix and
core-shell AgnCom nanoclusters that have been deposited with energies varying between …
core-shell AgnCom nanoclusters that have been deposited with energies varying between …
Atomistic investigation of the effects of symmetric tilt grain boundary structures on irradiation response of the α-Fe containing carbon in solution
SM Zamzamian, SA Feghhi, M Samadfam… - Computational Materials …, 2019 - Elsevier
In this paper, molecular dynamics simulations were used to investigate the effect of the
presence of carbon atoms, either in dispersed form or C-rich region, in low-carbon α-Fe …
presence of carbon atoms, either in dispersed form or C-rich region, in low-carbon α-Fe …
Структура и энергия симметричных границ наклона с осью〈 110〉 в Ni и энергии образования вакансий в границах зерен
МГ Уразалиев, МЕ Ступак, ВВ Попов - Физика металлов и …, 2021 - elibrary.ru
Методами компьютерного моделирования с использованием потенциала погруженного
атома исследовано четырнадцать симметричных границ наклона с осью〈 110〉 в Ni …
атома исследовано четырнадцать симметричных границ наклона с осью〈 110〉 в Ni …