Multiscale geometric modeling of macromolecules I: Cartesian representation [0.03%]
巨分子的多重几何建模(I)：笛卡尔表示法
Kelin Xia,Xin Feng,Zhan Chen et al.
Kelin Xia et al.
This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) represent...
A novel multiblock immersed boundary method for large eddy simulation of complex arterial hemodynamics [0.03%]
一种新的多块浸入式边界法用于复杂动脉血液动力学的大涡模拟研究
Kameswararao Anupindi,Yann Delorme,Dinesh A Shetty et al.
Kameswararao Anupindi et al.
Computational fluid dynamics (CFD) simulations are becoming a reliable tool to understand hemodynamics, disease progression in pathological blood vessels and to predict medical device performance. Immersed boundary method (IBM) emerged as a...
Lin Mu,Junping Wang,Guowei Wei et al.
Lin Mu et al.
Weak Galerkin methods refer to general finite element methods for partial differential equations (PDEs) in which differential operators are approximated by their weak forms as distributions. Such weak forms give rise to desirable flexibilit...
Arpit Tiwari,Jonathan B Freund,Carlos Pantano
Arpit Tiwari
A new, simple, and computationally efficient interface capturing scheme based on a diffuse interface approach is presented for simulation of compressible multiphase flows. Multi-fluid interfaces are represented using field variables (interf...
Transport-Constrained Extensions of Collision and Track Length Estimators for Solutions of Radiative Transport Problems [0.03%]
基于辐射输运解的碰撞和行程长度估计器的传输约束拓展
Rong Kong,Jerome Spanier
Rong Kong
In this paper we develop novel extensions of collision and track lengh estimators for the complete space-angle solutions of radiative transport problems. We derive the relevant equations, prove that our new estimators are unbiased, and comp...
Computing the partition function, ensemble averages, and density of states for lattice spin systems by sampling the mean [0.03%]
通过平均值采样计算格子自旋系统中的分区函数、配分系综和状态密度
Dirk Gillespie
Dirk Gillespie
An algorithm to approximately calculate the partition function (and subsequently ensemble averages) and density of states of lattice spin systems through non-Monte-Carlo random sampling is developed. This algorithm (called the sampling-the-...
Inverse Electrocardiographic Source Localization of Ischemia: An Optimization Framework and Finite Element Solution [0.03%]
心肌缺血的逆向体表电位计算：优化框架及有限元解法
Dafang Wang,Robert M Kirby,Rob S Macleod et al.
Dafang Wang et al.
With the goal of non-invasively localizing cardiac ischemic disease using body-surface potential recordings, we attempted to reconstruct the transmembrane potential (TMP) throughout the myocardium with the bidomain heart model. The task is ...
Generalized image charge solvation model for electrostatic interactions in molecular dynamics simulations of aqueous solutions [0.03%]
用于水溶液中分子动力学模拟的电荷相互作用的广义图像原子溶剂化模型
Shaozhong Deng,Changfeng Xue,Andriy Baumketner et al.
Shaozhong Deng et al.
This paper extends the image charge solvation model (ICSM) [J. Chem. Phys. 131, 154103 (2009)], a hybrid explicit/implicit method to treat electrostatic interactions in computer simulations of biomolecules formulated for spherical cavities,...
A modified and stable version of a perfectly matched layer technique for the 3-d second order wave equation in time domain with an application to aeroacoustics [0.03%]
基于三维二阶波动方程齐次完美匹配层方法的改进及稳定性分析及其在 Aeroacoustic 中的应用研究
Barbara Kaltenbacher,Manfred Kaltenbacher,Imbo Sim
Barbara Kaltenbacher
We consider the second order wave equation in an unbounded domain and propose an advanced perfectly matched layer (PML) technique for its efficient and reliable simulation. In doing so, we concentrate on the time domain case and use the fin...
Temporal Multiscale Approach for Nanocarrier Motion with Simultaneous Adhesion and Hydrodynamic Interactions in Targeted Drug Delivery [0.03%]
靶向药物递送中同时存在粘附和水动力学相互作用的纳米载体运动的多重时间尺度方法
R Radhakrishnan,B Uma,J Liu et al.
R Radhakrishnan et al.
We present a fluctuating hydrodynamics approach and a hybrid approach combining fluctuating hydrodynamics with generalized Langevin dynamics to resolve the motion of a nanocarrier when subject to both hydrodynamic interactions and adhesive ...