Molecular Dynamics Simulations - Articles - Scientific Research Publishing

Path Integral Molecular Dynamics Simulation on Atomic Distribution in Amorphized Ice Ic (Articles)

Naoka Sato, Kenichi Kinugawa

Natural Science Vol.8 No.11, November 14, 2016

DOI: 10.4236/ns.2016.811048 1,915 Downloads 4,177 Views Citations
Computational and Experimental Analyses of Detachment Force at the Interface between Carbon Fibers and Epoxy Resin (Articles)

Kazuki Mori, Nobuhiko Matsumoto, Sukeharu Nomoto, Kenji Tsuruta

Open Journal of Composite Materials Vol.7 No.4, July 27, 2017

DOI: 10.4236/ojcm.2017.74011 1,354 Downloads 3,444 Views Citations
This article belongs to the Special Issue on Composite Interface and Damages
Molecular Dynamics Simulation of Grain Refinement in a Polycrystalline Material under Severe Compressive Deformation (Articles)

Takuya Uehara

Materials Sciences and Applications Vol.8 No.12, November 25, 2017

DOI: 10.4236/msa.2017.812067 3,643 Downloads 5,292 Views Citations
Clusters Deposition on Surface an Atomic Scale Study by Computer Simulation Method (Articles)

Akbarali Rasulov, Nodirbek Ibroximov

Journal of Applied Mathematics and Physics Vol.7 No.10, October 14, 2019

DOI: 10.4236/jamp.2019.710156 540 Downloads 1,444 Views Citations
Characterizing Property of States: Effect of Defects on the Coefficient of Thermal Expansion and the Specific Heat Capacity of ZrB₂ (Articles)

Jude O. Ighere, P. Alex Greaney

New Journal of Glass and Ceramics Vol.10 No.2, March 27, 2020

DOI: 10.4236/njgc.2020.102002 884 Downloads 2,786 Views Citations
Numerical Evaluation of the Surface Energy of Polyhedral Nanoparticles (Articles)

Takuya Uehara, Junya Fujiwara

Materials Sciences and Applications Vol.11 No.12, December 17, 2020

DOI: 10.4236/msa.2020.1112055 791 Downloads 2,345 Views Citations
Molecular Dynamics, Diffusion Coefficients and Activation Energy of the Electrolyte (Anode) in Lithium (Li and Li⁺), Sodium (Na and Na⁺) and Potassium (K and K⁺) (Articles)

Alain Second Dzabana Honguelet, Timothée Nsongo, Bitho Rodongo, Earvin Loumbandzila

Modeling and Numerical Simulation of Material Science Vol.14 No.1, November 30, 2023

DOI: 10.4236/mnsms.2024.141002 261 Downloads 1,010 Views Citations
Molecular Dynamics Simulation of Deformation of FCC Bicrystal Nanopillars under Compression (Articles)

Takuya Uehara, Yuki Shigihara

World Journal of Engineering and Technology Vol.13 No.4, November 20, 2025

DOI: 10.4236/wjet.2025.134063 44 Downloads 332 Views Citations
Avocado Fruit Defensin (PaDef) Promote Trypsin and Chymotrypsin Enzyme Activity: A Computational Approach (Articles)

Cinthya Estefani López-Aguilar, Karen Astrid Ortiz-Vargas, Silvia Valdés-Rodríguez, Pedro Navarro-Santos, Luis María Suárez-Rodríguez, Mariela Gómez-Romero, Alejandra Ochoa-Zarzosa, Joel Edmundo López-Meza, Rodolfo López-Gómez

American Journal of Plant Sciences Vol.17 No.1, January 23, 2026

DOI: 10.4236/ajps.2026.171006 72 Downloads 405 Views Citations
Study of the Effect of Operating Temperatures (1320 K, 1420 K and 1520 K) on the Vacant Sites of TiN Alloy in B2 Structure at 45%, 50% and 55% N by MEAM Method (Articles)

Alain S. Dzabana Honguelet, Yahnn J. Mighensle Mimboui, Ronolvie Bitho Ondongo, Timothée Nsongo

Advances in Materials Physics and Chemistry Vol.13 No.7, July 31, 2023

DOI: 10.4236/ampc.2023.137010 282 Downloads 1,008 Views Citations
Molecular Dynamics, Physical Properties, Diffusion Coefficients and Activation Energy of the Lithium Oxide (Li-O) and Sodium Oxide (Na-O) Electrolyte (Cathode) (Articles)

Alain Second Dzabana Honguelet, Abel Dominique Eboungabeka, Timothée Nsongo

Advances in Materials Physics and Chemistry Vol.14 No.9, September 27, 2024

DOI: 10.4236/ampc.2024.149016 155 Downloads 966 Views Citations
MD Modeling of Pharmacological Vector-Receptor Pairs for Specific Drug Delivery to the Tumor: Atomic/Molecular Mechanisms of RGD-Peptide Embedding in the αvβ3-Integrin Receptor (Articles)

Ivan Baigunov, Kholmirzo Kholmurodov, Mirzoaziz Husenzoda, Elena Gribova, Natalia Polotnyanko, Alexei Lipengolts, Pavel Gladyshev

Advances in Materials Physics and Chemistry Vol.15 No.2, February 27, 2025

DOI: 10.4236/ampc.2025.152002 72 Downloads 464 Views Citations
Investigation of Self-Diffusion and Structure in Calcium Aluminosilicate Slags by Molecular Dynamics Simulation (Articles)

Kai Zheng, Feihua Yang, Xidong Wang, Zuotai Zhang

Materials Sciences and Applications Vol.5 No.2, February 25, 2014

DOI: 10.4236/msa.2014.52011 4,551 Downloads 7,100 Views Citations
The Fundamental Mechanism for the Collision/Pressure Induced Optic Effect (Articles)

Wei-Xing Xu

Optics and Photonics Journal Vol.8 No.4, April 18, 2018

DOI: 10.4236/opj.2018.84009 813 Downloads 1,729 Views Citations
This article belongs to the Special Issue on Optical Imaging Technology
Simulating the Dynamics of Bimetallic Clusters Deposited onto a Surface Using Molecular Dynamics (Articles)

Akbarali Rasulov, Nodirbek Ibrokhimov, Jaxongir Khodjimatov, Azamatjon Tukhtasinov

Journal of Applied Mathematics and Physics Vol.12 No.8, August 16, 2024

DOI: 10.4236/jamp.2024.128167 83 Downloads 506 Views Citations
Alcohol and Its Effects on the Binding of a Catalytically Significant Water Molecule in the Active Site of the Human α-Tubulin Acetyltransferase (Articles)

Alan Chant, Elliott Murray, Bennett Harrison-Michaels, Christina Kraemer-Chant

Journal of Biophysical Chemistry Vol.17 No.1, February 27, 2026

DOI: 10.4236/jbpc.2026.171001 43 Downloads 326 Views Citations
Numerical Investigations of a New N-body Simulation Method (Articles)

E. Vilkoviskij

International Journal of Astronomy and Astrophysics Vol.2 No.3, September 28, 2012

DOI: 10.4236/ijaa.2012.23016 6,747 Downloads 9,893 Views Citations
Wavefronts and Light Cones for Kerr Spacetimes (Articles)

Francisco Frutos-Alfaro, Frank Grave, Thomas Müller, Daria Adis

Journal of Modern Physics Vol.3 No.12, December 20, 2012

DOI: 10.4236/jmp.2012.312237 5,986 Downloads 8,974 Views Citations
On the Semianalytical Two-Body Regularization in N-Body Simulations (Articles)

Sergey Chernyagin, Kirill Lezhnin

Journal of Applied Mathematics and Physics Vol.3 No.2, January 30, 2015

DOI: 10.4236/jamp.2015.32018 2,695 Downloads 3,649 Views Citations
Theoretical and Comparative Study of the Complex [RuCl₃(H₂O)₂(Gly)] by Density Functional Theory (Articles)

Kátia Meirelles D. de Sousa, Marcio Adriano S. Chagas, Jesyca Mayra F. D. dos Santos, Anderson D. Galvão, Fabrício Tarso de Moraes, Andressa Teixeira Barros Nunes Ribeiro, Dário Batista Fortaleza, Kelly Aparecida da Encarnação Amorim, Wagner B. dos Santos

Open Journal of Inorganic Chemistry Vol.8 No.1, January 31, 2018

DOI: 10.4236/ojic.2018.81004 1,465 Downloads 3,319 Views Citations

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