Thermal stability of two-dimensional titanium carbides Tin+1Cn (MXenes) from classical molecular dynamics simulations

2019 ◽  
Vol 9 (01) ◽  
pp. 203-208 ◽  
Author(s):  
Vadym Borysiuk ◽  
Vadym N. Mochalin
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Two Dimensional ◽  
Classical Molecular Dynamics ◽  
Titanium Carbides ◽  
Dynamics Simulations ◽  
Image Position ◽  
Thermal Stability Of

Abstract

THERMAL STABILITY OF BENZOROD ARRAYS: MOLECULAR-DYNAMICS SIMULATIONS

2005 ◽  
Vol 16 (05) ◽  
pp. 827-834 ◽  
Author(s):  
OSMAN BARIS MALCIOGLU ◽  
ŞAKIR ERKOÇ
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Elevated Temperatures ◽  
Thermally Stable ◽  
Classical Molecular Dynamics ◽  
Benzene Rings ◽  
Dynamics Simulations ◽  
Thermal Stability Of

A set of Benzorod arrays on a graphene substrate has been investigated by performing classical molecular-dynamics simulations. Benzorod is composed of aligned and dehydrogenated benzene rings that are stacked to form a rod-like structure. It has been found that the arrays considered are thermally stable up to elevated temperatures, with a dependence on length.

scholarly journals A study of the structural properties and thermal stability of human Bcl-2 by molecular dynamics simulations

2013 ◽  
Vol 32 (11) ◽  
pp. 1707-1719 ◽  
Author(s):  
Ian Ilizaliturri-Flores ◽  
José Correa-Basurto ◽  
Claudia G. Benítez-Cardoza ◽  
Absalom Zamorano-Carrillo
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Dynamics Simulations ◽  
Thermal Stability Of

scholarly journals Molecular dynamics simulations of nanoscale engravings on an alkanethiol monolayer

RSC Advances ◽  
2017 ◽  
Vol 7 (56) ◽  
pp. 35537-35542 ◽  
Author(s):  
Zhengqing Zhang ◽  
Yoonho Ahn ◽  
Joonkyung Jang
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Thermal Stability Of

Thermal stability of nanoscale engravings on alkanethiol monolayer.

Defect dynamics in two-dimensional black phosphorus under argon ion irradiation

Nanoscale ◽  
2021 ◽  
Author(s):  
Saransh Gupta ◽  
Prakash Periasamy ◽  
Badri Narayanan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Irradiation ◽  
Noble Gas ◽  
Black Phosphorus ◽  
Two Dimensional ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations ◽  
Argon Ion

Classical molecular dynamics simulations show that production, accumulation, and evolution of defects in monolayer phosphorene can be precisely controlled by varying fluence of noble gas ion radiation.

scholarly journals Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations

2018 ◽  
Vol 59 (1) ◽  
pp. 441-452 ◽  
Author(s):  
Laia Julió Plana ◽  
Alejandro D. Nadra ◽  
Dario A. Estrin ◽  
F. Javier Luque ◽  
Luciana Capece
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Thermal Stability Of
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