Molecular dynamic study of the mechanical properties of two-dimensional titanium carbides Tin+ 1Cn (MXenes)

VN Borysiuk, VN Mochalin, Y Gogotsi - Nanotechnology, 2015 - iopscience.iop.org
Two-dimensional materials beyond graphene are attracting much attention. Recently
discovered 2D carbides and nitrides (MXenes) have shown very attractive electrical and …

[PDF][PDF] Crossing the mesoscale no-man's land via parallel kinetic Monte Carlo

S Plimpton, C Battaile, M Chandross… - Sandia Report …, 2009 - academia.edu
Abstract The kinetic Monte Carlo method and its variants are powerful tools for modeling
materials at the mesoscale, meaning at length and time scales in between the atomic and …

Multiscale Defective Interfaces for Realizing Na‐CO2 Batteries With Ultralong Lifespan

C Xu, P Hong, Y Dong, Y Li, Y Shen… - Advanced …, 2024 - Wiley Online Library
Despite their favorable high energy density and potential for CO2 recycling, Na‐CO2
batteries have been held back by limitations in cycling capability, stemming from the …

The as-deposited structure of co-sputtered Cu–Ta alloys, studied by X-ray diffraction and molecular dynamics simulations

CM Müller, S Parviainen, F Djurabekova, K Nordlund… - Acta Materialia, 2015 - Elsevier
In this study a direct comparison between lattice spacings predicted by molecular dynamics
(MD) simulations and values measured from sputtered Cu–Ta films by X-ray diffraction …

Investigation of the deposition mechanism of Cu seed layer atoms on the Ta (001) surface from the atomic perspective

B Zhao, R Li, Y Huang, Y Xi, Z Tian, S Wang - Applied Surface Science, 2025 - Elsevier
Ta barrier layers are commonly used in microelectronic devices to prevent direct Cu-Si
contact. To better understand the deposition mechanism of Cu seed layers on Ta barriers …

Nanoscale Cu/Ta multilayer deposition by co-sputtering on a rotating substrate. Empirical model and experiment

CM Müller, AS Sologubenko, SSA Gerstl… - Surface and Coatings …, 2016 - Elsevier
Co-sputtering from confocal sources is a widespread technique for the production of thin film
alloys. In this process the substrate is rotated to ensure that the films are homogeneous in …

Molecular dynamics investigation of deposition and annealing behaviors of Cu atoms onto Cu (0 0 1) substrate

X Jing, Z Liu, K Yao - Applied surface science, 2012 - Elsevier
The deposition growth and annealing behaviors of Cu atoms onto Cu (001) are investigated
in atomic scale by molecular dynamics (MD) simulation. The results indicate that the film …

Deformation Mechanism of Depositing Amorphous Cu-Ta Alloy Film via Nanoindentation Test

W Li, X Wang, X Feng, Y Du, X Zhang, Y Xie, X Chen… - Nanomaterials, 2022 - mdpi.com
As a representative of immiscible alloy systems, the Cu-Ta system was the research topic
because of its potential application in industry, military and defense fields. In this study, an …

Anomalous plastic deformation in nanoscale Cu/Ta multilayers

MZ Wei, ZH Cao, J Shi, GJ Pan, LJ Xu… - Materials Science and …, 2014 - Elsevier
This work presents a length-scale induced anomalous plastic deformation of Cu/Ta
multilayers with individual layer thickness (h) varying from 1 nm to 100 nm. The hardness …

Surface roughness analysis of Cu seed layer deposited on α-Ti diffusion barrier layer: A molecular dynamics simulation study

Z Li, W Tian, W Li, S Wu, Y Wang, H Xu - Journal of Applied Physics, 2024 - pubs.aip.org
Copper (Cu) interconnections have been widely used in advanced electronic packaging due
to their outstanding thermal and electric properties. Preparing a smooth and uniform Cu …