Related papers: Evaluation of modified Hantush's function
The increasing number of gas-fired units has significantly intensified the coupling between power and gas networks. Traditionally, the nonlinearity and nonconvexity in gas flow equations, together with renewable-induced stochasticity,…
We introduce the Deep Post-Hartree-Fock (DeePHF) method, a machine learning based scheme for constructing accurate and transferable models for the ground-state energy of electronic structure problems. DeePHF predicts the energy difference…
A novel lattice Boltzmann (LB) model with self-tuning equation of state (EOS) is developed in this work for simulating coupled thermo-hydrodynamic flows. The velocity field is solved by the recently developed multiple-relaxation-time (MRT)…
This paper presents the first implementation of a coupling between advanced wave function theories and molecular density functional theory (MDFT). This method enables the modeling of solvent effect into quantum mechanical (QM) calculations…
High-entropy alloys (HEAs) exhibit exceptional catalytic performance due to their complex surface structures. However, the vast number of active binding sites in HEAs, as opposed to conventional alloys, presents a significant computational…
This study delves into a comprehensive examination of the three-dimensional $(3D)$ incompressible magneto-hydrodynamic $(MHD)$ equations in $H^{1}(\R^{3})$. The modification involves incorporating a power term in the nonlinear convection…
The first aims of this work are to endorse the advent of finitely additive set functions as equilibrium states and the possibility to replace the metric entropy by an upper semi-continuous map associated to a general variational principle.…
A physics-informed neural network is developed to solve conductive heat transfer partial differential equation (PDE), along with convective heat transfer PDEs as boundary conditions (BCs), in manufacturing and engineering applications where…
We introduce a quantum stochastic dynamics for heat conduction. A multi-level subsystem is coupled to reservoirs at different temperatures. Energy quanta are detected in the reservoirs allowing the study of steady state fluctuations of the…
Fully numerical mesh solutions of 2D and 3D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of…
An innovative computational approach to capturing the essential aspects of an Enhanced Geothermal System (EGS) is formulated. The modified finite element method is utilized to model transient heat and fluid flow within an EGS reservoir.…
Optimisation-based algorithms known as Moving Horizon Estimator (MHE) have been developed through the years. This paper illustrates the implementation of the policy introduced in the companion paper submitted to the 18th IFAC Workshop on…
In three out of five cases considered in our work, DFT calculations presented by Xu and Hou in their Comment give the same ground state confirmations. On the other hand, depending on the choice of the exchange-correlation functional, the…
An analysis of the different approaches used within the van Hove BCS model for the high temperature superconductors has been done. How far the employment of an asymptotic expression for the density of states underestimates the thermodynamic…
We formalize energy-scaling arguments in the Standard Model Effective Field Theory (SMEFT) to estimate effects of operators up to dimension ten. Introducing a classification based on the number of external legs and an energy-counting…
A moist entropy potential temperature -- denoted by ${\theta}_{s}$ -- is defined analytically in terms of the specific entropy for moist air. The expression for ${\theta}_{s}$ is valid for a general mixing of dry air, water vapour and…
This paper considers two commuting smooth transformations on a Banach space, and proves the sub-additivity of the measure theoretic entropies under mild conditions. Furthermore, some additional conditions are given for the equality of the…
The paper is concerned with proving the equivalence of convexity or concavity properties of thermodynamic functions, such as energy and entropy, depending on different sets of variables. These variables are the basic thermodynamic state…
To calculate the solvation of hydrophobic solutes we have developed the method based on the fundamental measure treatment of the density functional theory. This method allows us to carry out calculations of density profiles and the…
Power systems are undergoing unprecedented transformations with the incorporation of larger amounts of renewable energy sources, distributed generation and demand response. All these changes, while potentially making power grids more…