Results 41 to 50 of about 42,717 (170)
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
Cluster virial expansion for quark and nuclear matter
, 2015 We employ the $\Phi-$ derivable approach to many particle systems with strong correlations that can lead to the formation of bound states (clusters) of different size.
Blaschke, David
core +1 more source
Momentum distribution of a dilute unitary Bose gas with three-body losses [PDF]
, 2013 Using Boltzmann's equation, we study the effect of three-body losses on the momentum distribution of a homogeneous unitary Bose gas in the dilute limit where quantum correlations are negligible.
Chevy, Frédéric +2 more
core +3 more sources
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
Short distance modification of the quantum virial theorem
, 2017 In this letter, we will analyse the deformation of a semi-classical gravitational system from minimal measurable length scale. In the semi-classical approximation, the gravitational field will be analysed as a classical field, and the matter fields will ...
Faizal, Mir, Zaz, Zaid, Zhao, Qin
core +2 more sources
Closed virial equations for hard parallel cubes andsquares
Natural Science, 2011 A correlation between maxima in virial coefficients (Bn), and "kissing" numbers for hard hyper-spheres up to dimension D=5, indicates a virial equation and close-packing relationship. Known virial coefficients up to B7, both for hard parallel cubes and squares, indicate that the limiting differences Bn-B(n-1) behave similar to spheres and disks, in the
openaire +3 more sources
, 2006 We present new molecular dynamics results for the pressure of the pure hard disk fluid up to the hexatic transition (about reduced density 0.9). The data combined with the known virial coefficients (up to $B_{10}$) are used to build an equation of state,
Erpenbeck JJ +3 more
core +1 more source
Advanced Materials, Volume 38, Issue 7, 2 February 2026.A systematic study of a series of porous organic cages with perfluorinated alkyl side‐chains of different lengths is presented. The structure‐property relationship of the various cages on gas sorption of highly potent greenhouse gases, such as perfluorocarbons (PFCs), sulfur hexafluoride (SF6), and nitrogen trifluoride (NF3) is investigated.
Ke Tian +8 more
wiley +1 more source
, 2011 In a recent paper, Kiessling and Tahvildar-Zadeh proved that any classical solution of the relativistic Vlasov-Poisson equation with attractive coupling launched by spherically symmetric initial data with zero total energy and virial less than or equal ...
Young, Brent
core +1 more source
Wave‐Partition‐Governed Dual‐Site Spallation in Single Crystals
Advanced Science, Volume 13, Issue 9, 13 February 2026.Crystalline anisotropy shapes shock‐wave propagation and the resulting damage evolution in single crystals. Large‐scale molecular dynamics and damage modeling uncover a dual‐spallation mechanism driven by anisotropic elasticplastic wave separation, which mitigates damage accumulation.
Youlin Zhu +6 more
wiley +1 more source