4.4 Article

On surface pre-melting of metallic nanoparticles: molecular dynamics study

Related references

Note: Only part of the references are listed.
Article Materials Science, Multidisciplinary

Efficiency in identification of internal structure in simulated monoatomic clusters: Comparison between common neighbor analysis and coordination polyhedron method

Wieslaw Z. Polak

Summary: Comparisons were made between the efficiency of two methods, CNA and CPM, for structural analysis in detecting possible structural atoms in monoatomic test clusters. It was found that both methods have their own advantages, with CNA being better at representing atoms in a bulk-centered cubic structure, while CPM excels in detecting icosahedral units.

COMPUTATIONAL MATERIALS SCIENCE (2022)

Article Computer Science, Interdisciplinary Applications

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson et al.

Summary: LAMMPS, a classical molecular dynamics simulator released as an open source code in 2004, has gained popularity for its wide variety of particle interaction models, platform compatibility, and user control over simulation details. With contributions from numerous developers, it has grown from 50,000 lines of code to a million today, showcasing new capabilities like dynamic load balancing and quantum-accuracy machine learning interatomic potentials.

COMPUTER PHYSICS COMMUNICATIONS (2022)

Article Chemistry, Physical

When mechanisms of coalescence and sintering at the nanoscale fundamentally differ: Molecular dynamics study

V. M. Samsonov et al.

Summary: Using classical isothermal molecular dynamics, this study simulated the coalescence of mesoscopic Au nanodroplets and the sintering of mesoscopic solid Au nanoparticles. The results showed that the regularities and mechanisms of coalescence and sintering are different, with coalescence being a hydrodynamic phenomenon and sintering involving complex mechanisms such as collective rearrangements of atoms and diffusion.

JOURNAL OF CHEMICAL PHYSICS (2022)

Article Chemistry, Multidisciplinary

Features and mechanisms of coalescence of nanodroplets and sintering of metal nanoparticles: molecular dynamics simulation

V. V. Puytov et al.

Summary: This study simulates the coalescence of metal nanodroplets and sintering process of solid Au, Pd, and Pt nanoparticles. The findings suggest that the sintering scheme can apply to the coalescence scheme, but at a lower characteristic temperature rather than the melting point of the nanoparticles. This temperature can be interpreted as a critical temperature corresponding to the bifurcation phenomenon.

RUSSIAN CHEMICAL BULLETIN (2022)

Article Multidisciplinary Sciences

Data-driven simulation and characterisation of gold nanoparticle melting

ClaudioW Zeni et al.

Summary: Efficient theoretical methods for the structural analysis of nanoparticles are crucial, and this study demonstrates the use of machine-learning force fields and a data-driven approach to investigate the thermodynamic stability and melting process of gold nanoparticles. By developing machine learning force fields based on Density Functional Theory calculations, the study accurately predicts nanoparticle melting temperatures and characterizes the solid-liquid phase change mechanism.

NATURE COMMUNICATIONS (2021)

Article Materials Science, Multidisciplinary

Self-Diffusion in Liquid Copper, Silver, and Gold

Nikolay Dubinin

METALS (2020)

Article Multidisciplinary Sciences

Atomic-resolution imaging of surface and core melting in individual size-selected Au nanoclusters on carbon

D. M. Foster et al.

NATURE COMMUNICATIONS (2019)

Article Thermodynamics

Molecular dynamics and thermodynamic simulations of segregation phenomena in binary metal nanoparticles

V. M. Samsonov et al.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2018)

Article Chemistry, Physical

Influence of Size on Melting Thermodynamics of Nanoparticles: Mechanism, Factors, Range, and Degree

Huijuan Duan et al.

PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION (2018)

Article Computer Science, Interdisciplinary Applications

A molecular dynamics study: Structures and thermal stability of PdmPt(13-m)Ag42 ternary nanoalloys

Ali Kemal Garip

INTERNATIONAL JOURNAL OF MODERN PHYSICS C (2018)

Article Nanoscience & Nanotechnology

Size-dependent melting modes and behaviors of Ag nanoparticles: a molecular dynamics study

Tianshou Liang et al.

NANOTECHNOLOGY (2017)

Proceedings Paper Physics, Multidisciplinary

The measurement of self-diffusion coefficients in liquid metals with quasielastic neutron scattering

Andreas Meyer

QENS/WINS 2014 - 11TH INTERNATIONAL CONFERENCE ON QUASIELASTIC NEUTRON SCATTERING AND 6TH INTERNATIONAL WORKSHOP ON INELASTIC NEUTRON SPECTROMETERS (2015)

Article Crystallography

Comparative molecular dynamics study of melting and crystallization of Ni and Au nanoclusters

V. M. Samsonov et al.

CRYSTALLOGRAPHY REPORTS (2014)

Article Materials Science, Multidisciplinary

Structure identification methods for atomistic simulations of crystalline materials

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2012)

Article Chemistry, Multidisciplinary

Peculiar features of heat capacity for Cu and Ni nanoclusters

S. L. Gafner et al.

JOURNAL OF NANOPARTICLE RESEARCH (2011)

Article Materials Science, Multidisciplinary

Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

Article Materials Science, Multidisciplinary

Dislocation detection algorithm for atomistic simulations

Alexander Stukowski et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

Article Crystallography

Molecular dynamics study of the melting and crystallization of nanoparticles

V. M. Samsonov et al.

CRYSTALLOGRAPHY REPORTS (2009)

Article Materials Science, Multidisciplinary

Effect of nanoparticle size on the onset temperature of surface melting

A. P. Chernyshev

MATERIALS LETTERS (2009)

Review Physics, Multidisciplinary

Size-dependent melting of nanoparticles: Hundred years of thermodynamic model

K. K. Nanda

PRAMANA-JOURNAL OF PHYSICS (2009)

Review Chemistry, Multidisciplinary

Nanoalloys: From theory to applications of alloy clusters and nanoparticles

Riccardo Ferrando et al.

CHEMICAL REVIEWS (2008)

Article Materials Science, Multidisciplinary

Melting of core-shell Ag-Ni and Ag-Co nanoclusters studied via molecular dynamics simulations

Z. Kuntova et al.

PHYSICAL REVIEW B (2008)

Article Nanoscience & Nanotechnology

A thermodynamic model for the melting of supported metal nanoparticles

S. C. Hendy

NANOTECHNOLOGY (2007)

Article Materials Science, Multidisciplinary

Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers

XW Zhou et al.

PHYSICAL REVIEW B (2004)

Article Chemistry, Multidisciplinary

Size-dependent melting of silica-encapsulated gold nanoparticles

K Dick et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)

Article Chemistry, Physical

Three distinctive melting mechanisms in isolated nanoparticles

SJ Zhao et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2001)

Article Chemistry, Physical

Melting and crystallization in Ni nanoclusters:: The mesoscale regime

Y Qi et al.

JOURNAL OF CHEMICAL PHYSICS (2001)