Comparison of network generation techniques for unconsolidated porous media

R Al-Raoush, K Thompson… - Soil Science Society of …, 2003 - Wiley Online Library
While network models of porous materials have traditionally been constructed using regular
or disordered lattices, recent developments allow the direct modeling of more realistic …

Application of a new grain-based reconstruction algorithm to microtomography images for quantitative characterization and flow modeling

KE Thompson, CS Willson, CD White, S Nyman… - Spe Journal, 2008 - onepetro.org
X-ray computed microtomography (XMT) is used for high-resolution, nondestructive imaging
and has been applied successfully to geologic media. Despite the potential of XMT to aid in …

On the influence of hydrated imidazolium-based ionic liquid on protein structure stability: a molecular dynamics simulation study

Q Shao - The Journal of chemical physics, 2013 - pubs.aip.org
The structure stability of three α-helix bundle (the B domain of protein A) in an imidazolium-
based ionic liquid (1-butyl-3-methylimidazolium chloride (BMIM-Cl)) is studied by molecular …

Counteraction Effects of Ammonium-Based Ionic Liquids on Urea-Induced Denaturation of α-Lactalbumin: A Comprehensive Molecular Simulation Study

KP Ghanta, S Bandyopadhyay - The Journal of Physical Chemistry …, 2023 - ACS Publications
Ionic liquids (ILs) are known to stabilize protein conformations in aqueous medium.
Importantly, ILs can also act as refolding additives in urea-driven denaturation of proteins …

Unprecedented improvement in the stability of hemoglobin in the presence of promising green solvent 1-allyl-3-methylimidazolium chloride

I Jha, P Venkatesu - ACS Sustainable Chemistry & Engineering, 2016 - ACS Publications
In this article, we have explored the influence of a peculiar member of imidazolium-based
ionic liquid (IL), 1-allyl-3-methylimidazolium chloride ([Amim][Cl]), on the stability of …

Microscopic understanding of the effect of ionic liquid on protein from molecular simulation studies

KP Ghanta, T Pal, S Mondal… - The Journal of Physical …, 2020 - ACS Publications
We have performed molecular dynamics (MD) simulations of the protein α-lactalbumin in
aqueous solution containing the ionic liquid (IL) 1-butyl-3-methyl imidazolium …

Contrasting effects of ionic liquids of varying degree of hydrophilicity on the conformational and interfacial properties of a globular protein

KP Ghanta, S Mondal, S Mondal… - The Journal of …, 2021 - ACS Publications
Ionic liquids (ILs), depending on their cation–anion combinations, are known to influence the
conformational properties and activities of proteins in a nonuniform manner. To obtain …

On the collective network of ionic liquid/water mixtures. III. Structural analysis of ionic liquids on the basis of Voronoi decomposition

C Schröder, G Neumayr, O Steinhauser - The Journal of chemical …, 2009 - pubs.aip.org
Three different mixtures of 1-butyl-3-methyl-imidazolium tetrafluoroborate with water have
been studied by means of molecular dynamics simulations. Based on the classical Lopes …

[PDF][PDF] 快速Delaunay 逐点插入网格生成算法

李水乡, 陈斌, 赵亮, 刘曰武 - 2007 - researchgate.net
摘要对插入形心的Delaunay 逐点插入算法, 提出按单元可插度分组的双向链表组数据结构,
避免了对最大可插度单元的搜索. 采用了邻接单元搜索, 双向链表存储, 随机方向搜索, 邻接旋转 …

Delaunay Triangulations of Closed Euclidean d-Orbifolds

M Caroli, M Teillaud - Discrete & Computational Geometry, 2016 - Springer
We give a definition of the Delaunay triangulation of a point set in a closed Euclidean d-
manifold, ie a compact quotient space of the Euclidean space for a discrete group of …