相关论文: Experimental parameter uncertainty in PEM fuel cel…
Synthetic fuels are crucial for decarbonizing the transportation sector. A significant challenge lies in the rapid and efficient characterization of these fuels. Chemometric methods using ATR-FTIR data offer a potential alternative to…
The prediction of absorption, distribution, metabolism, excretion, and toxicity (ADMET) of small molecules from their molecular structure is a central problem in medicinal chemistry with great practical importance in drug discovery.…
We calculate the temperature dependence of the transport properties of heavy-fermion systems such as resistivity, optical conductivity, thermoelectric power, the electronic part of the thermal conductivity, and the "figure of merit." The…
The next generation of long-baseline neutrino experiments will be capable of precision measurements of neutrino oscillation parameters, precision neutrino-nucleus scattering, and unprecedented sensitivity to physics beyond the Standard…
Anion exchange membranes (AEMs) are promising candidates for replacing proton exchange membranes (PEMs) in electrochemical devices such as fuel cells, electrolyzers, batteries, and osmotic energy extraction systems. However, optimizing the…
Foundation models are at the forefront of an increasing number of critical applications. In regards to technologies such as additive manufacturing (AM), these models have the potential to dramatically accelerate process optimization and, in…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
Membrane-based CO$_2$ removal from exhaust streams has recently gained much attention as a means of reducing emissions and limiting climate change. Novel membranes for CO$_2$ removal include so called facilitated transport membranes (FTMs),…
We study posterior contraction behaviors for parameters of interest in the context of Bayesian mixture modeling, where the number of mixing components is unknown while the model itself may or may not be correctly specified. Two…
A new material characterization technique is emerging for the transmission electron microscope (TEM). Using electron energy-loss spectroscopy, real space mappings of the underlying electronic transitions in the sample, so called orbital…
Systematic studies on the GEM foil material are performed to measure the moisture diffusion rate and saturation level. These studies are important because the presence of this compound inside the detector's foil can possibly change its…
In this manuscript we study the modeling of experimental data and its impact on the resulting integral experimental covariance and correlation matrices. By investigating a set of three low enriched and water moderated UO2 fuel rod arrays we…
The temperature dependence of experimental charge carrier mobility is commonly used as a predictor of the dominant carrier scattering mechanism in semiconductors, particularly in thermoelectric applications. In this work, we critically…
Complex plasma mixtures with three or more components are often encountered in astrophysics or in inertial confinement fusion (ICF) experiments. For mixtures containing species with large differences in atomic number Z, the modeling needs…
A review of the present state of investigations of the pseudospin-electron model (PEM), which is used in the theory of strongly correlated electron systems, is given. The model is used to describe the systems with the locally anharmonic…
Fluids confined in nanopores are ubiquitous in nature and technology. In recent years, the interest in confined fluids has grown, driven by research on unconventional hydrocarbon resources -- shale gas and shale oil, much of which are…
The transport of deformable particles through porous media underlies a wealth of applications ranging from filtration to oil recovery to the transport and spreading of biological agents. Using direct numerical simulations, we analyze the…
Structural materials are broadly used in applications such as nuclear vessels, high-temperature processes, and civil construction. Usually, during their placing and lifespan, they may present free or chemically bonded liquid phases in their…
Accurately predicting aerothermal behavior is paramount for the effective design of hypersonic vehicles, as aerodynamic heating plays a pivotal role in influencing performance metrics and structural integrity. This study introduces a…
The great majority of electronic and optoelectronic devices depends on interfaces between n-type and p-type semiconductors. Finding such matching donor-acceptor systems in molecular crystals remains a challenging endeavor. Structurally…