Results 61 to 70 of about 1,518 (208)
Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice
Small Methods, Volume 10, Issue 5, 9 March 2026.Computational modeling is widely used to investigate electrocatalytic reactions, yet accurately describing electrochemical interfaces remains challenging. This review outlines theoretical and computational strategies, based on density functional theory, to model reaction thermodynamics, solvation effects, applied bias, and kinetics.
Michele Re Fiorentin +8 more
wiley +1 more source
Numerical Study of a Nonlocal Nonlinear Schrödinger Equation (MMT Model)
Studies in Applied Mathematics, Volume 156, Issue 3, March 2026.ABSTRACT In this paper, we study a nonlocal nonlinear Schrödinger equation (MMT model). We investigate the effect of the nonlocal operator appearing in the nonlinearity on the long‐term behavior of solutions, and we identify the conditions under which the solutions of the Cauchy problem associated with this equation are bounded globally in time in the ...
Amin Esfahani, Gulcin M. Muslu
wiley +1 more source
On the generalized virial theorem for systems with variable mass
, 2016 International audienceWe presently extend the virial theorem for both discrete and continuous systems of material points with variable mass, relying on developments presented in Ganghoffer (Int J Solids Struct 47:1209―1220, 2010). The developed framework
Ganghoffer, Jean-François +1 more
core +1 more source
Dynamical Classification of Galactic Open Clusters Using Virial Theorem
UniverseOpen clusters are important tracers for studying the structure and evolution of the Milky Way, but determining their dynamical states and gravitational binding properties remains a complex task. In this study, we systematically analysed the gravitational
Chaolin Yu +3 more
doaj +1 more source
An elementary derivation of the quantum virial theorem from Hellmann-Feynman theorem
, 2016 A simple proof of the quantum virial theorem that can be used in undergraduate courses is given. The proof proceeds by first showing that the energy eigenvalues of a Hamiltonian remain invariant under a scale transformation.
Turgut, Sadi, İpekoğlu, Yusuf
core +1 more source
Exploring Routes to Calculating the Effective Magnetic Permeability of Polymer Magnetic Composites
Polymer Composites, Volume 47, Issue 2, Page 981-988, 20 January 2026.Schematic of a static (undeformed) configuration of the magnetic‐filled polymer network for a semi‐crystalline sample. ABSTRACT Our understanding of the effective magnetic permeability of composite materials composed of randomly dispersed metallic ferromagnetic particles within a nonmagnetic (polymer) matrix must respond to several challenges.
Christian Brosseau
wiley +1 more source
The generalized virial theorem in f(R) gravity
, 2008 We generalize the virial theorem in f(R) modified gravity using the collisionless Boltzmann equation. We find supplementary geometric terms in the modified Einstein equation providing an effective contribution to the gravitational energy.
Harko, T, Lobo, FSN, Böhmer, CG
core +1 more source
Statistical Gravity Through Affine Quantization
Quantum ReportsI propose a possible way to introduce the effect of temperature (defined through the virial theorem) into Einstein’s theory of general relativity. This requires the computation of a path integral on a ten-dimensional flat space in a four-dimensional ...
Riccardo Fantoni
doaj +1 more source
Atomistic simulations of water‐driven structural and mechanical changes in N–A–S–H gels
Journal of the American Ceramic Society, Volume 108, Issue 12, December 2025.Abstract This study employs molecular dynamics simulations to investigate the effect of varying water content (0–25 wt.%) and Si/Al ratio (1–3) on the atomistic structure and elastic properties of sodium aluminosilicate hydrates (N–A–S–H) gels. Results show that water molecules break the aluminosilicate framework by forming hydroxyl groups on AlO4 and ...
Eashow Shamo +4 more
wiley +1 more source
Results in Physics, 2018 By the use of complete orthogonal sets of ψ(δ∗)-damping self-frictional (DSF) exponential type orbitals (ψ(δ∗)-DSFETO) introduced by one of the authors, the quantum DSF study of hydrogen-like atomic energies and forces are suggested. Here, δ∗=α∗ or δ∗=pl∗
Nurşen Seçkin Görgün +2 more
doaj +1 more source