Molecular dynamic study of the mechanical properties of two-dimensional titanium carbides Tin+ 1Cn (MXenes)
Two-dimensional materials beyond graphene are attracting much attention. Recently
discovered 2D carbides and nitrides (MXenes) have shown very attractive electrical and …
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 …
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
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 …
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 …
(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 …
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 …
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 …
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
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 …
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 …
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 …
to their outstanding thermal and electric properties. Preparing a smooth and uniform Cu …