Size dependent interface energy and its applications

Q Jiang, HM Lu - Surface Science Reports, 2008 - Elsevier
Reducing the sizes of low dimensional materials leads to dramatic increase in the portion of
surface/interface atoms. The properties of a solid are essentially controlled by related …

[HTML][HTML] A coherent set of model equations for various surface and interface energies in systems with liquid and solid metals and alloys

G Kaptay - Advances in colloid and interface science, 2020 - Elsevier
In this paper first a generally valid model is derived from the two fundamental equations of
Gibbs for temperature and composition dependences of all types of interfacial energies. This …

Molecular dynamics for near melting temperatures simulations of metals using modified embedded-atom method

SA Etesami, E Asadi - Journal of Physics and Chemistry of Solids, 2018 - Elsevier
Availability of a reliable interatomic potential is one of the major challenges in utilizing
molecular dynamics (MD) for simulations of metals at near the melting temperatures and …

Two-phase solid–liquid coexistence of Ni, Cu, and Al by molecular dynamics simulations using the modified embedded-atom method

E Asadi, MA Zaeem, S Nouranian, MI Baskes - Acta Materialia, 2015 - Elsevier
The two-phase solid–liquid coexisting structures of Ni, Cu, and Al are studied by molecular
dynamics (MD) simulations using the second nearest-neighbor (2NN) modified-embedded …

Atomistic simulation assisted error-inclusive Bayesian machine learning for probabilistically unraveling the mechanical properties of solidified metals

A Mahata, T Mukhopadhyay, S Chakraborty… - npj Computational …, 2024 - nature.com
Solidification phenomenon has been an integral part of the manufacturing processes of
metals, where the quantification of stochastic variations and manufacturing uncertainties is …

Polymorphism, crystal nucleation and growth in the phase-field crystal model in 2D and 3D

GI Tóth, G Tegze, T Pusztai, G Tóth… - Journal of Physics …, 2010 - iopscience.iop.org
We apply a simple dynamical density functional theory, the phase-field crystal (PFC) model
of overdamped conservative dynamics, to address polymorphism, crystal nucleation, and …

[HTML][HTML] An atomistic simulation study of rapid solidification kinetics and crystal defects in dilute Al–Cu alloys

M Haapalehto, T Pinomaa, L Wang… - Computational Materials …, 2022 - Elsevier
Rapid solidification kinetics of dilute Al–Cu alloys is simulated using a quantum mechanics
based bond-order potential (BOP), in free solidification conditions, to determine kinetic and …

Effects of solidification defects on nanoscale mechanical properties of rapid directionally solidified Al-Cu Alloy: A large scale molecular dynamics study

A Mahata, MA Zaeem - Journal of crystal growth, 2019 - Elsevier
Directional solidification of Al-11 at% Cu is investigated by molecular dynamics (MD)
simulations utilizing second nearest neighbor modified embedded atom method (2NN …

Magnifying the Structural Components of Biomembranes: A Prototype for the Study of the Self‐Assembly of Giant Lipids

XY Yan, Z Lin, W Zhang, H Xu, QY Guo… - Angewandte Chemie …, 2020 - Wiley Online Library
How biomembranes are self‐organized to perform their functions remains a pivotal issue in
biological and chemical science. Understanding the self‐assembly principles of lipid‐like …

Solid-liquid interface energy of metals at melting point and undercooled state

Z Jian, K Kuribayashi, W Jie - Materials Transactions, 2002 - jstage.jst.go.jp
The solid-liquid interface energy is an important physical parameter in nucleation and
solidification theory. A complete comprehension of nucleation and solidification processing …