Related papers: Generating a Machine-learned Equation of State for…
The field of numerical simulation is of significant importance for the design and management of real-world systems, with partial differential equations (PDEs) being a commonly used mathematical modeling tool. However, solving PDEs remains…
A Gamma-distribution based potential energy landscape (PEL) theory has recently been proposed for supercooled liquids and glasses. This new PEL theory introduces a singularity term in the equation of state (EoS) suitable for representing…
Different equations of state (EOS) have been used to study pressure as a function of volume compressions at a given temperature. The critical test of EOS' for solids under low compressions (<10GPa) by evaluating the pressure-volume…
Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as solid-liquid interfaces. Here, we present a machine learning…
Numerical simulation of fluids plays an essential role in modeling many physical phenomena, such as weather, climate, aerodynamics and plasma physics. Fluids are well described by the Navier-Stokes equations, but solving these equations at…
The description of fluid mixtures molecular behavior is significant for various industry fields due to the complex composition of fluid found in nature. Statistical mechanics approaches use intermolecular interaction potential to predict…
We explore supervised machine learning methods in extracting the non-linear maps between neutron stars (NS) observables and the equation of state (EoS) of nuclear matter. Using a Taylor expansion around saturation density, we have generated…
We study a generalization performance of the machine learning (ML) model to predict the atomic forces within the density functional theory (DFT). The targets are the Si and Ge single component systems in the liquid state. To train the…
Context. A unified equation of state (EoS) should describe the crust and the core of a neutron star using the same physical model. The Brussels-Montreal group has recently derived a family of such EoSs based on the nuclear energy-density…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
This work critics on nature of thermodynamics coordinates and on roles of the variables in the equation of state (EoS). Coordinate variables in the EoS are analyzed so that central concepts are noticed and are used to lay a foundation in…
Fluid turbulence is an important problem for physics and engineering. Turbulence modeling deals with the development of simplified models that can act as surrogates for representing the effects of turbulence on flow evolution. Such models…
Diffusion coefficients are key thermophysical properties for modeling mass transport in liquids, but experimental data are scarce, making reliable prediction methods indispensable. In the present work, we introduce a new method for…
The use of heteronuclear models are often viewed as ways to improve the predictive ability and parameter transferability of advanced association models, such as those derived from the Statistical Associating Fluid Theory (SAFT). Indeed,…
We study the sensitivities of the directed flow in Au+Au collisions on the equation of state (EoS), employing the transport theoretical model JAM. The EoS is modified by introducing a new collision term in order to control the pressure of a…
Quantitative prediction of thermodynamic properties in solution is essential for translating atomistic simulations into reliable chemical insight. As an exemplar system, the behaviour of CaCO$_3$ in water has been widely studied to…
Formulations of Eulerian general relativistic ideal hydrodynamics in conservation form are analyzed in some detail, with particular emphasis to geometric source terms. Simple linear transformations of the equations are introduced and the…
A general equation of state for the hard-body reference system of real fluid has been developed from first principles, statistical mechanical arguments using metric differential geometry to describe the "available volume," V0, and its…
The non-monotonicity of the local speed of sound in dense matter at baryon number densities much higher than the nuclear saturation density ($n_0 \approx 0.16\,$fm$^{-3}$) suggests the possible existence of a non-convex thermodynamics which…
Simulating water from first principles remains a significant computational challenge due to the slow dynamics of the underlying system. Although machine-learned interatomic potentials (MLPs) can accelerate these simulations, they often fail…