An optimal [Formula: see text] scheme for simulations of colliding, particle-laden flows on unstructured grids [0.03%]
一种针对非结构网格上碰撞的带粒子流体流动模拟的最优[Formula: see text]格式
Grant Rydquist,Mahdi Esmaily
Grant Rydquist
The cost of tracking Lagrangian particles in a domain discretized on an unstructured grid can become prohibitively expensive as the number of particles or elements grows. A major part of the cost in these calculations is spent on locating t...
HomPINNs: homotopy physics-informed neural networks for solving the inverse problems of nonlinear differential equations with multiple solutions [0.03%]
HomPINNs: 用于求解具有多个解的非线性微分方程的逆问题的同伦物理信息神经网络
Haoyang Zheng,Yao Huang,Ziyang Huang et al.
Haoyang Zheng et al.
Due to the complex behavior arising from non-uniqueness, symmetry, and bifurcations in the solution space, solving inverse problems of nonlinear differential equations (DEs) with multiple solutions is a challenging task. To address this, we...
A hybrid stochastic interpolation and compression method for kernel matrices [0.03%]
一种混合随机插值和压缩的核矩阵方法
Duan Chen
Duan Chen
Kernel functions play an important role in a wide range of scientific computing and machine learning problems. These functions lead to dense kernel matrices that impose great challenges in computational costs at large scale. In this paper, ...
Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential [0.03%]
基于无量纲电位的非线性泊松-boltzmann模型静电自由能计算
Shan Zhao,Idowu Ijaodoro,Mark McGowan et al.
Shan Zhao et al.
The Poisson-Boltzmann (PB) equation governing the electrostatic potential with a unit is often transformed to a normalized form for a dimensionless potential in numerical studies. To calculate the electrostatic free energy (EFE) of biologic...
John Strahan,Justin Finkel,Aaron R Dinner et al.
John Strahan et al.
Estimating the likelihood, timing, and nature of events is a major goal of modeling stochastic dynamical systems. When the event is rare in comparison with the timescales of simulation and/or measurement needed to resolve the elemental dyna...
A sharp interface Lagrangian-Eulerian method for flexible-body fluid-structure interaction [0.03%]
处理柔体结构耦合问题的拉格朗日-欧拉流固耦合算法
Ebrahim M Kolahdouz,David R Wells,Simone Rossi et al.
Ebrahim M Kolahdouz et al.
This paper introduces a sharp-interface approach to simulating fluid-structure interaction (FSI) involving flexible bodies described by general nonlinear material models and across a broad range of mass density ratios. This new flexible-bod...
David Wells,Ben Vadala-Roth,Jae H Lee et al.
David Wells et al.
The immersed finite element-finite difference (IFED) method is a computational approach to modeling interactions between a fluid and an immersed structure. The IFED method uses a finite element (FE) method to approximate the stresses, force...
Computational modeling of protein conformational changes - Application to the opening SARS-CoV-2 spike [0.03%]
蛋白质构象变化的计算建模 - 应用于SARS-CoV-2刺突蛋白的开启过程
Anna Kucherova,Selma Strango,Shahar Sukenik et al.
Anna Kucherova et al.
We present a new approach to compute and analyze the dynamical electro-geometric properties of proteins undergoing conformational changes. The molecular trajectory is obtained from Markov state models, and the electrostatic potential is cal...
Shuang Zhao,Jerome Spanier
Shuang Zhao
This paper introduces a new family of hybrid estimators aimed at controlling the efficiency of Monte Carlo computations in particle transport problems. In this context, efficiency is usually measured by the figure of merit (FOM) given by th...
A cell-resolved, Lagrangian solver for modeling red blood cell dynamics in macroscale flows [0.03%]
一种基于单元的拉格朗日求解器用于模拟宏观流体中红细胞的动力学行为
Grant Rydquist,Mahdi Esmaily
Grant Rydquist
When red blood cells (RBCs) experience non-physiologically high stresses, e.g., in medical devices, they can rupture in a process called hemolysis. Directly simulating this process is computationally unaffordable given that the length scale...