Related papers: Thermodynamic modeling of the Hf-Si-O system
A theoretical and computational finite element study of modified Navier-Stokes Equations coupled with energy conservation governing the flow and heat transfer in complex domains with hybrid nanofluid$(HNF)$ is carried out. The apriori error…
We analyze how climate change affects marine oxygen production by modeling plankton--oxygen dynamics with a fractional-order nonlinear system and establishing rigorous conditions for the model's well-posedness. We formulate a…
High temperatures promote kinetic processes which can drive crystal synthesis towards ideal thermodynamic conditions, thereby realizing samples of superior quality. While accessing very high temperatures in thin-film epitaxy is becoming…
Technical components are usually well optimized. However, simply combining these optimized components in a technical system does not necessarily lead to optimal systems. Therefore, focusing on a system perspective reveals new potential for…
The performance of solution-processed solar cells strongly depends on the geometrical structure and roughness of the photovoltaic layers formed during film drying. During the drying process, the interplay of crystallization and…
Phase equilibria in the Al-Ti-Nb-Zr-Ta refractory complex concentrated alloy system were investigated using a high throughput experimental approach. A pseudo-ternary section of the quinary compositional space was prepared by a honeycomb…
We calculate the optical sum (OS) and the kinetic energy (KE) for a tight binding band in the Nearly Antiferromagnetic Fermi Liquid (NAFFL) model which has had some success in describing the electronic structure of the high $T_c$ cuprates.…
The possible formation of oxides or thin oxide films (surface oxides) on late transition metal surfaces is recently being recognized as an essential ingredient when aiming to understand catalytic oxidation reactions under technologically…
In this paper we study a class of physical systems that combine a finite number of mechanical and thermodynamic observables. We call them finite dimensional thermo-mechanical systems. We introduce these systems by means of simple examples.…
We present a realistic model of the fragile glass former orthoterphenyl and the results of extensive molecular dynamics simulations in which we investigated its basic static and dynamic properties. In this model the internal molecular…
Thin films of Co-TiO2 are deposited on silicon and quartz substrates using Pulse Laser Deposition (PLD) process at various oxygen partial pressures ranging from 6.6 x 10-3 Pascals (Pa) to 53 Pa. Crystal structure, transport and magnetic…
The incoherent dynamic structure factor of ortho-terphenyl has been measured by neutron time-of-flight and backscattering technique in the pressure range from 0.1 MPa to 240 MPa for temperatures between 301 K and 335 K. Tagged-particle…
Fundamental advances to increase the efficiency as well as stability of organic photovoltaics (OPVs) are achieved by designing ternary blends which represents a clear trend towards multi-component active layer blends. We report the…
The extraordinary aerial agility of hummingbirds and insects continues to inspire the design of flapping-wing drones. To replicate and analyze such flight, computational fluid dynamics (CFD) simulations that couple flow solvers with rigid…
Recent experimental evidence for collective protein vibrations in the terahertz (THz) domain indicates that energy in biomolecular systems can self-organize in an orderly manner, as anticipated by Fr\"ohlich's theory of condensates within a…
In this work, an assessment of the CALPHAD method trained on only density functional theory (DFT) data is performed for the Li-Si binary system, as a case study. Using a parameter sampling approach based on the Bayesian Error Estimation…
Equilibration dynamics of hot oxygen atoms following O2 dissociation on Pd(100) and Pd(111) surfaces are investigated by molecular dynamics simulations based on a scalable neural network potential enabling first-principles description of O2…
We apply the methodology of our recent paper 'The Dynamics of the Hubbard Model through Stochastic Calculus and Girsanov Transformation' [1] to thermodynamic correlation functions in the Fermi-Hubbard model. They can be obtained from a…
Crystalline structures, zone-center phonon modes, and the related dielectric response of the three low-pressure phases of HfO2 have been investigated in density-functional theory using ultrasoft pseudopotentials and a plane-wave basis. The…
The temperature dependence of the relaxation dynamics in the bilayer thin film heterostructure composed of multiferroic BiFeO$_{3}$ (BFO) and superconducting YBa$_{2}$Cu$_{3}$O$_{7}$ (YBCO) grown on a (001) SrTiO$_{3}$ substrate is studied…