相关论文: Using Thermodynamics and Microstructure to Mitigat…
As a nonlocal extension of continuum mechanics, peridynamics has been widely and effectively applied in different fields where discontinuities in the field variables arise from an initially continuous body. An important component of the…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…
Pipe flow models are developed with a focus on their eventual use for feedback control design at the process control level, as opposed to the unit level, in gas processing facilities. Accordingly, linearized facility-scale models are…
The understanding of the fundamental properties of the climate system has long benefitted from the use of simple numerical models able to parsimoniously represent the essential ingredients of its processes. Here we introduce a new model for…
Thermodynamic cycles are pivotal in determining the efficacy of energy conversion systems. Traditional design methodologies, which rely on expert knowledge or exhaustive enumeration, are inefficient and lack scalability, thereby…
A pellet target produces micro-spheres of different materials, which are used as an internal target for nuclear and particle physics studies. We will describe the pellet hydrogen behavior by means of fluid dynamics and thermodynamics. In…
Considering high-temperature heating, the equations of transient heat conduction model require an adaptation, i.e. the dependence of thermophysical parameters of the model on the temperature is to be identified for each specific material to…
The on-wing engine performance is difficult to track for thermodynamic models because of its inaccurate component maps, and also difficult for data driven methods for their over-fitting to measurement errors. So, we propose a thermodynamic…
Thermoelectric metamaterials featuring width modulation through constrictions (constricted geometries) have emerged as a promising approach for improving heat management and thermoelectric performance. Through a combination of theoretical…
Hydrogen-based direct reduction offers a sustainable pathway to decarbonize the metal production industry. However, stable metal oxides, like Cr$_2$O$_3$, are notoriously difficult to reduce, requiring extremely high temperatures (above…
FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the…
Multiscale modelling is a new paradigm that has emerged in recent times to study the well-known problem of the process-structure-property relationship in the area of materials science and engineering. For obtaining the desired performance…
Potential energy landscape (PEL) is essential to determine phase stability, reaction path, and other important physical as well as chemical properties. Whereas given PEL can reasonably determine the properties in thermodynamically…
Multiscale techniques have been widely shown to potentially overcome the limitation of homogenization schemes in representing the microscopic failure mechanisms in heterogeneous media as well as their influence on their structural response…
This paper, inspired by a real production process of steel hardening, investigates a scheduling problem to minimize the idle energy consumption of machines. The energy minimization is achieved by switching a machine to some power-saving…
Hyperparameter optimization is very frequently employed in machine learning. However, an optimization of a large space of parameters could result in overfitting of models. In recent studies on solubility prediction the authors collected…
Incorporation of the finite size of baryons into the equation of state (EOS) of a hot and dense hadron gas (HG) in a thermodynamically consistent manner has been a much studied problem. We first review its current status. Various models…
Numerical simulations of complex multiphysics systems, such as char combustion considered herein, yield numerous state variables that inherently exhibit physical constraints. This paper presents a new approach to augment Operator Inference…
Storing electrical energy for long periods and transporting it over long distances is an essential task of the necessary transition to a CO$_2$-free energy economy. An oxidation-reduction cycle based on iron and its oxides represents a very…
Nanothermodynamics provides the theoretical foundation for understanding stable distributions of statistically independent subsystems inside larger systems. In this review it is emphasized that adapting ideas from nanothermodynamics to…