Sharif Digital Repository

Molecular dynamics modeling of a nanomaterials-water surface interaction

Author

Nejat Pishkenari, H.

Publisher

American Institute of Physics Inc,

Pub. Year

2016

Subjects

Molecular dynamics.

Calculation of melting temperature and transition curve for dickerson DNA dodecamer on the basis of configurational entropy, hydrogen bonding energy, and heat capacity: A molecular dynamics simulation study

Author

Izanloo, C.

Subjects

Molecular-dynamics.

Size dependence and effect of potential parameters on properties of nano-cavities in liquid xenon using molecular dynamics simulation

Author

Akbarzadeh, H.

Pub. Year

2011

Subjects

Nano-cavity.

Effect of copper content on tensile mechanical properties of ternary NiTiCu alloy nanowire: molecular dynamics simulation

Author

Fazeli, S.

Publisher

Elsevier Ltd,

Pub. Year

2018

Subjects

NiTiCu.

Molecular dynamics simulation of supercoiled DNA rings

Author

Fathizadeh, A.

Publisher

American Chemical Society,

Pub. Year

2015

Subjects

Bioinformatics.

Nanocar and nanotruck motion on gold surface

Author

Nemati, A. R.

Publisher

Institute of Electrical and Electronics Engineers Inc

Subjects

Molecular dynamics.

Coarse-graining models for molecular dynamics simulations of FCC metals

Author

Delafrouz, P.

Publisher

Polish Society of Theoretical and Allied Mechanics,

Pub. Year

2018

Subjects

Molecular dynamics.

Molecular dynamics simulation of manipulation of metallic nanoclusters on stepped surfaces

Author

Mahboobi, S. H.

Subjects

Molecular dynamics simulations.

Molecular dynamics simulation of manipulation of metallic nanoclusters on double-layer substrates [electronic resource] / Seyed Hanif Mahboobi, Ali Meghdari, Nader Jalili, Farshid Amiri.

Author

Mahboobi, H. (Hanif).

Subjects

Molecular dynamics simulations.

Molecular dynamics simulation of melting, solidification and remelting processes of aluminum [electronic resource] / S. Solhjoo, A. Simchi and H. Aashuri.

Author

Solhjoo, S.

Subjects

aluminum.

Validity and size-dependency of cauchy–born hypothesis with Tersoff potential in silicon nano-structures

Author

Khoei, A. R. (Amir Reza).

Subjects

Silicon nano-structure.

A temperature-related boundary Cauchy-Born method for multi-scale modeling of silicon nano-structures

Author

Khoei, A. R.

Subjects

Tersoff potential.

Molecular dynamics simulation of manipulation of metallic nanoclusters on stepped surfaces

Author

Mahboobi, S. H.

Subjects

Stepped surfaces.

Steered molecular dynamic simulation approaches for computing the blood brain barrier (BBB) diffusion coefficient

Author

Pedram, M. Z.

Publisher

Springer Verlag,

Pub. Year

2015

Subjects

Molecular dynamics.

Molecular dynamics study of the thermal expansion coefficient of silicon

Author

Nejat Pishkenari, H.

Publisher

Elsevier, B. V,

Pub. Year

2016

Subjects

Thermal expansion coefficient.

Molecular dynamic investigation of size-dependent surface energy of icosahedral copper nanoparticles at different temperature

Author

Myasnichenko, V. S.

Publisher

Institute for Metals Superplasticity Problems of Russian Academy of Sciences,

Pub. Year

2016

Subjects

Surface energy.

Wettability alteration properties of fluorinated silica nanoparticles in liquid-loaded pores: An atomistic simulation

Author

Sepehrinia, K.

Publisher

Elsevier,

Pub. Year

2016

Subjects

Wettability.

Increase in the β-sheet character of an amyloidogenic peptide upon adsorption onto gold and silver surfaces

Author

Soltani, N.

Publisher

Wiley-VCH Verlag,

Pub. Year

2017

Subjects

Toxicology.

Two-dimensional atomistic simulation of metallic nanoparticles pushing

Author

Mahboobi, S. H.

Pub. Year

2009

Subjects

Pushing process.

Simulation study of the Gachsaran asphaltene behavior within the interface of oil/water emulsion: a case study

Author

Saeedi Dehaghani, A. H.

Publisher

Elsevier B.V,

Pub. Year

2019

Subjects

Oil-water interface.