Results 31 to 40 of about 11,306,054 (330)

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

open access: yesScientific Reports, 2013
Using first principles calculations based on density functional theory and a coupled finite-fields/finite-differences approach, we study the dielectric properties, phonon dispersions and Raman spectra of ZnO, a material whose internal polarization fields
A. Calzolari, M. Nardelli
semanticscholar   +1 more source

Nonequilibrium Equality for Free Energy Differences [PDF]

open access: yes, 1996
An expression is derived for the equilibrium free energy difference between two configurations of a system, in terms of an ensemble of finite-time measurements of the work performed in parametrically switching from one configuration to the other.
C. Jarzynski
semanticscholar   +1 more source

Leveraging Simplex Gradient Variance and Bias Reduction for Black-Box Optimization of Noisy and Costly Functions

open access: yesIEEE Access
Gradient variance errors in gradient-based search methods are largely mitigated using momentum, however the bias gradient errors may fail the numerical search methods in reaching the true optimum.
Mircea-Bogdan Radac, Titus Nicolae
doaj   +1 more source

Numerical Solutions of Variable Coefficient Higher-Order Partial Differential Equations Arising in Beam Models

open access: yesEntropy, 2022
In this work, an efficient and robust numerical scheme is proposed to solve the variable coefficients’ fourth-order partial differential equations (FOPDEs) that arise in Euler–Bernoulli beam models.
Abdul Ghafoor   +4 more
doaj   +1 more source

Generalized finite-difference schemes [PDF]

open access: yesMathematics of Computation, 1969
Finite-difference schemes for initial boundary-value problems for partial differential equations lead to systems of equations which must be solved at each time step. Other methods also lead to systems of equations. We call a method a generalized finite-difference scheme if the matrix of coefficients of the system is sparse.
Swartz, B., Wendroff, B.
openaire   +1 more source

A natural derivative on [0,n] and a binomial Poincar\'e inequality [PDF]

open access: yes, 2011
We consider probability measures supported on a finite discrete interval $[0,n]$. We introduce a new finitedifference operator $\nabla_n$, defined as a linear combination of left and right finite differences. We show that this operator $\nabla_n$ plays a
Hillion, Erwan   +2 more
core   +4 more sources

VaMpy: A Python Package to Solve 1D Blood Flow Problems

open access: yesJournal of Open Research Software, 2017
Finite-differences methods such as the Lax-Wendroff method (LW) are commonly used to solve 1D models of blood flow. These models solve for blood flow and lumen area and are useful in disease research, such as hypertension and atherosclerosis, where flow ...
Alexandra K. Diem, Neil W. Bressloff
doaj   +1 more source

Numerical Analysis of the Burger Equation using Finite Differences [PDF]

open access: yesAl-Rafidain Journal of Computer Sciences and Mathematics, 2007
The Burger equation had been solved numerically by using two finite differences methods. The first is explicit scheme method and the second is Crank–Nicholson method.
Saad Manna, Badran Salem
doaj   +1 more source

Method of lines and finite difference schemes with the exact spectrum for solution the hyperbolic heat conduction equation

open access: yesMathematical Modelling and Analysis, 2011
This paper is concerning with the 1-D initial–boundary value problem for the hyperbolic heat conduction equation. Numerical solutions are obtained using two discretizations methods – the finite difference scheme (FDS) and the difference scheme with the ...
Harijs Kalis, Andris Buikis
doaj   +1 more source

A Nodal Immersed Finite Element-Finite Difference Method

open access: yesSSRN Electronic Journal, 2022
The immersed finite element-finite difference (IFED) method is a computational approach to modeling interactions between a fluid and an immersed structure. This method uses a finite element (FE) method to approximate the stresses and forces on a structural mesh and a finite difference (FD) method to approximate the momentum of the entire fluid ...
David R. Wells   +3 more
openaire   +4 more sources

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