Related papers: Comment on 'Energy partitioning schemes: a dilemma…
We briefly compare the structure of two classes of popular models used to describe poro- and chemo- mechanics wherein a fluid phase is transported within a solid phase. The multiplicative deformation decomposition has been successfully used…
Calculating relative free energies is a topic of substantial interest and has many applications including solvation and binding free energies, which are used in computational drug discovery. However, there remain the challenges of accuracy,…
This letter studies the power allocation and scheduling problem in two-cell distributed interference subtraction system. Through the interference is cancelled at one receiver side and the analysis of objective function monotony, our key…
Energy distributions of decay products carry information on the kinematics of the decay in ways that are at the same time straightforward and quite hidden. I will review these properties and discuss their early historical applications as…
Similarly to the derivation of the Gibbs-Boltzmann distribution for structureless indistinguishable particles, we consider multi-particle systems some of which are contained (or delimited) inside others (Problem 1), as well as systems of…
A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of…
Energies from alpha- and proton-decay experiments yield information of capital importance for deriving the atomic masses of superheavy and exotic nuclides. We present a procedure to correct the published decay energies in case the recoiling…
Improved understanding of molecular systems has only emphasised the sophistication of networks within the cell. Simultaneously, the advance of nucleic acid nanotechnology, a platform within which reactions can be exquisitely controlled, has…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
This paper builds on two previous works, Lindgren et al. J. Comp. Phys. 371, 712-731 (2018) and Quan et al. arXiv:1807.05384 (2018), to devise a new method to solve the problem of calculating electrostatic interactions in a system composed…
It is shown that the dual to the linear programming problem that arises in constraint-based models of metabolism can be given a thermodynamic interpretation in which the shadow prices are chemical potential analogues, and the objective is…
For systems with three and four fermions within a single-j shell, analytical expressions for the state energies are presented from a decomposition of the angular momentum. In some important cases the expressions acquire a very simple form.…
For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution…
Studying the energy partioning published in nucl-th/0406056v2 we show that the presented results do not fulfill the sum rule due to energy conservation. The observed fluctuations of the energy conservation test point to a numerical problem.…
The decarbonization of municipal and district energy systems requires economic and ecologic efficient transformation strategies in a wide spectrum of technical options. Especially under the consideration of multi-energy systems, which…
The separation of internal energy into heat and work in quantum thermodynamics is a controversial issue for a long time, and we revisit and solve this problem in this work. It is shown that the Hamiltonian plays dual roles for a quantum…
The main topic of this work concerns the formulation of the equations of motion and the consequent energy balance that they imply for this type of systems, In particular, the analytical development that we will carry out on the equations of…
Calculating free energy differences is a topic of substantial interest and has many applications including molecular docking and hydration, solvation, and binding free energies which is used in computational drug discovery. However, in…
The interdependence of electricity and natural gas markets is becoming a major topic in energy research. Integrated energy models are used to assist decision-making for businesses and policymakers addressing challenges of energy transition…
We present an approach to electronic polarization in molecular solids treated as a set of quantum systems interacting classically. Individual molecules are dealt with rigorously as quantum-mechanical systems subject to classical external…