Literature DB >> 12786380

Interaction potentials for soft and hard ellipsoids.

R Everaers1, M R Ejtehadi.   

Abstract

Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type but have a well-defined microscopic interpretation and no adjustable parameters. Since our potentials require the calculation of similar variables, the modification of existing simulation codes for Gay-Berne potentials is straightforward. The computational performance should remain unaffected.

Year:  2003        PMID: 12786380     DOI: 10.1103/PhysRevE.67.041710

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  16 in total

1.  Algorithmic dimensionality reduction for molecular structure analysis.

Authors:  W Michael Brown; Shawn Martin; Sara N Pollock; Evangelos A Coutsias; Jean-Paul Watson
Journal:  J Chem Phys       Date:  2008-08-14       Impact factor: 3.488

2.  Rouse mode analysis of chain relaxation in polymer nanocomposites.

Authors:  Jagannathan T Kalathi; Sanat K Kumar; Michael Rubinstein; Gary S Grest
Journal:  Soft Matter       Date:  2015-05-05       Impact factor: 3.679

3.  On the calculation of the potential of mean force between atomistic nanoparticles.

Authors:  Gianmarco Munaò; Andrea Correa; Antonio Pizzirusso; Giuseppe Milano
Journal:  Eur Phys J E Soft Matter       Date:  2018-03-27       Impact factor: 1.890

4.  Modeling spatial correlation of DNA deformation: DNA allostery in protein binding.

Authors:  Xinliang Xu; Hao Ge; Chan Gu; Yi Qin Gao; Siyuan S Wang; Beng Joo Reginald Thio; James T Hynes; X Sunney Xie; Jianshu Cao
Journal:  J Phys Chem B       Date:  2013-07-08       Impact factor: 2.991

5.  Structural order in ultrathin films of the monolayer protected clusters based upon 4 nm gold nanocrystals: an experimental and theoretical study.

Authors:  Nabraj Bhattarai; Subarna Khanal; Daniel Bahena; Jimena A Olmos-Asar; Arturo Ponce; Robert L Whetten; Marcelo M Mariscal; Miguel Jose-Yacaman
Journal:  Phys Chem Chem Phys       Date:  2014-09-14       Impact factor: 3.676

6.  Origin of chains of Au-PbS nano-dumbbells in space.

Authors:  Chandana Mondal; Ali Hossain Khan; Bidisa Das; Somobrata Acharya; Surajit Sengupta
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

7.  Effects of intermolecular interactions on the stability of carbon nanotube-gold nanoparticle conjugates in solution.

Authors:  Lukasz Konczak; Jolanta Narkiewicz-Michalek; Giorgia Pastorin; Tomasz Panczyk
Journal:  Int J Nanomedicine       Date:  2016-11-07

8.  Experimental and theoretical evidence for molecular forces driving surface segregation in photonic colloidal assemblies.

Authors:  Ming Xiao; Ziying Hu; Thomas E Gartner; Xiaozhou Yang; Weiyao Li; Arthi Jayaraman; Nathan C Gianneschi; Matthew D Shawkey; Ali Dhinojwala
Journal:  Sci Adv       Date:  2019-09-20       Impact factor: 14.136

9.  Solvent-Mediated Forces between Ellipsoidal Nanoparticles Adsorbed at Liquid-Vapor Interfaces.

Authors:  Olav Galteland; Fernando Bresme; Bjørn Hafskjold
Journal:  Langmuir       Date:  2020-11-25       Impact factor: 3.882

10.  Changes in Electrical Conductance of Polymer Composites Melts Due to Carbon Nanofiller Particles Migration.

Authors:  Oleg V Lebedev; Galina P Goncharuk; Alexander N Ozerin
Journal:  Polymers (Basel)       Date:  2021-03-26       Impact factor: 4.329

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.