Size and shape dependent thermal properties of rutile TiO2 nanoparticles: a molecular dynamics simulation study

Hadi Alizadeh; Matin Alsadat Mostaan; Nader Malih; Jamal Davoodi

doi:10.1080/08927022.2019.1690142

Size and shape dependent thermal properties of rutile TiO2 nanoparticles: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2019.1690142 ◽

2020 ◽

Vol 46 (5) ◽

pp. 341-349

Author(s):

Hadi Alizadeh ◽

Matin Alsadat Mostaan ◽

Nader Malih ◽

Jamal Davoodi

Keyword(s):

Molecular Dynamics ◽

Thermal Properties ◽

Molecular Dynamics Simulation ◽

Tio2 Nanoparticles ◽

Simulation Study ◽

Dynamics Simulation ◽

Rutile Tio2 ◽

Size And Shape

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Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms ◽

10.1016/j.nimb.2005.04.065 ◽

2005 ◽

Vol 239 (3) ◽

pp. 191-201 ◽

Cited By ~ 46

Author(s):

B.S. Thomas ◽

N.A. Marks ◽

L.R. Corrales ◽

R. Devanathan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Rutile Tio2 ◽

Threshold Displacement

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Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores

RSC Advances ◽

10.1039/c6ra04779c ◽

2016 ◽

Vol 6 (47) ◽

pp. 41410-41419 ◽

Cited By ~ 7

Author(s):

Liyuan Dong ◽

Yuhong Li ◽

Ram Devanathan ◽

Fei Gao

Keyword(s):

Molecular Dynamics ◽

Thermal Properties ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

We present a comprehensive simulation study of the effect of composition on the structural, elastic and thermal properties of 25 different compounds from the pyrochlore family.

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Thermal properties of char obtained by pyrolysis: A molecular dynamics simulation study

Applied Physics Letters ◽

10.1063/1.3249632 ◽

2009 ◽

Vol 95 (18) ◽

pp. 181908 ◽

Cited By ~ 8

Author(s):

Maxim A. Makeev ◽

Deepak Srivastava

Keyword(s):

Molecular Dynamics ◽

Thermal Properties ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-018-24041-7 ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 6

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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Molecular dynamics simulation study of the effect of a strong electric field on the structure of a poly(oxyethylene) chain in explicit solvents

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116622 ◽

2021 ◽

pp. 116622

Author(s):

Šárka Dědičová ◽

Jan Dočkal ◽

Filip Moučka ◽

Jan Jirsák

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽

Dynamics Simulation

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Iron coordination to pyochelin siderophore influences dynamics of FptA receptor from Pseudomonas aeruginosa: a molecular dynamics simulation study

BioMetals ◽

10.1007/s10534-021-00332-x ◽

2021 ◽

Author(s):

Sana Manzoor ◽

Ayaz Ahmed ◽

Syed Tarique Moin

Keyword(s):

Molecular Dynamics ◽

Pseudomonas Aeruginosa ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Iron Coordination

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