Results 111 to 120 of about 1,208 (218)
WFX Molecular Fragment References for Hirshfeld Charge‐Transfer Analysis in Non‐Covalent Complexes
Journal of Computational Chemistry, Volume 47, Issue 20, July 30, 2026.The choice of reference state strongly affects Hirshfeld charge‐transfer analysis. Atomic references predict substantially larger intermolecular charge transfer than molecular fragment WFX references in non‐covalent complexes. ABSTRACT In this work, we introduce and assess a fragment‐based Hirshfeld scheme in which molecular WFX files of isolated ...
Jorge Garza, Rubicelia Vargas
wiley +1 more source
Mathematical Methods in the Applied Sciences, Volume 49, Issue 11, Page 12524-12538, 30 July 2026.ABSTRACT Constructing a biorthogonal structure from scratch, that is, defining a biorthogonal pair is quite tough. Because here the orthogonality must be established between two different sets. There are four known univariate biorthogonal polynomial sets, suggested by Laguerre, Jacobi, Hermite and Szegő‐Hermite polynomials, in the literature.
Esra Güldoğan Lekesiz
wiley +1 more source
International Journal for Numerical Methods in Engineering, Volume 127, Issue 14, 30 July 2026.ABSTRACT The accurate prediction of displacement and stress fields in pressure vessels is essential for the safe and reliable design of these structures, particularly when dealing with nonlinear behavior such as that of hyperelastic functionally graded materials (FGMs).
Nasser Firouzi +2 more
wiley +1 more source
International Journal for Numerical Methods in Engineering, Volume 127, Issue 14, 30 July 2026.ABSTRACT Numerous mesh‐distortion‐insensitive Petrov‐Galerkin finite element formulations have been developed for the simulation of elastostatic problems. This contribution presents initial results on how these formulations can be extended to linear elastodynamics. In this context, three different approaches are examined, building upon an established 8‐
Felix Zähringer, Peter Betsch
wiley +1 more source
THE DISCRETE VORTEXES METHOD WITH THE IMPROVED QUADRATURE FORMULAE IN THE AEROELASTICITY PROBLEMS
Научный вестник МГТУ ГА, 2016 The possibility of the improved quadrature formulae of the discrete vortexes method used in the aeroelasticity problems is considered. Some of the calculation results confirm the efficiency of these formulae are carried out.
V. V. Ovchinnicov +2 more
doaj
Efficient Nyström-type method for the solution of highly oscillatory Volterra integral equations of the second kind. [PDF]
PLoS One, 2023 Wu Q, Sun M.
europepmc +1 more source
Neural‐Initialized Newton: Accelerating Nonlinear Finite Elements via Operator Learning
International Journal for Numerical Methods in Engineering, Volume 127, Issue 14, 30 July 2026.ABSTRACT We propose a Newton‐based scheme, initialized by neural operator predictions, to accelerate the parametric solution of nonlinear problems in computational solid mechanics. First, a physics‐informed neural operator based on conditional neural fields or Fourier neural operators is trained to approximate the nonlinear parametric solution of the ...
Kianoosh Taghikhani +5 more
wiley +1 more source
Surface and Boundary Corrections in Peridynamics Using Optimized Nodal Influence Weights
International Journal for Numerical Methods in Engineering, Volume 127, Issue 14, 30 July 2026.ABSTRACT Peridynamics (PD), similarly to some other nonlocal continuum theories, exhibits truncated interaction horizons near free surfaces, cracks, and voids in bounded domains. This loss of neighbors causes artificial surface effects and inconsistencies in the derivative and energy operators that persist under discretization refinement, limiting PD ...
Arman Shojaei +5 more
wiley +1 more source
International Journal for Numerical Methods in Engineering, Volume 127, Issue 14, 30 July 2026.ABSTRACTLattice systems are indispensable for modeling and analyzing physical phenomena in materials with discrete or heterogeneous micro‐ or meso‐structures. However, the computational requirements for practical engineering applications of lattice systems remain high.
Benjamin Werner +2 more
wiley +1 more source