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Radiative decay rates of an atom placed near triaxial nanoellipsoid are investigated in long wavelength approximation. Analytical results are obtained in general case. It is shown that triaxial ellipsoid can be used for efficient control of…
This report presents new EOS and strength models for use in numerical hydrocode simulations of dust impacts on the NASA solar probe space vehicle. This spacecraft will be subjected to impact at velocities up to 300 km/s, producing pressures…
Supercapacitors are energy storage devices able to deliver electricity with a high power. They consist of porous carbon electrodes in a concentrated electrolyte. Charged is stored by the adsorption of ions at the electrode surface.…
The present era has witnessed a new dawn in technology innovations with the entry and use of nanomaterials in the industries and in the products used and to be used in day-to-day life creating a huge possibility of ending up in the food…
The full optimization of the design and operation of instruments whose functioning relies on the interaction of radiation with matter is a super-human task, given the large dimensionality of the space of possible choices for geometry,…
Understanding and modeling energy transfer mechanisms in rare-earth-doped nanomaterials is essential for advancing luminescent technologies used in bioimaging, optical thermometry, and solid-state lasers. In this work, we investigate the…
High-performance osmotic energy conversion (OEC) with perm-selective porous membrane requires both high ionic selectivity and permeability simultaneously. Here, hydrodynamic slip is considered on surfaces of nanopores to break the tradeoff…
Solid-state refrigeration technologies, represented by electrocaloric effect (ECE), are renowned for zero global-warming-potential and high cooling efficiency. Synergistically achieving high electrocaloric effect ({\Delta}T) and wide…
Nanoparticles can influence the properties of polymer materials by a variety of mechanisms. With fullerene, carbon nanotube, and clay or graphene sheet nanocomposites in mind, we investigate how particle shape influences the melt shear…
As renewable energy is becoming a critical energy source to meet the global demand, electrochemical energy storage devices become indispensable for the efficient energy storage and reliable supply. The electrode material is the key factor…
Membrane budding and wrapping of particles, such as viruses and nano-particles, play a key role in intracellular transport and have been studied for a variety of biological and soft matter systems. We study nano-particle wrapping by…
Heterogeneous catalysts consisting of supported metallic nanoparticles typically derive exceptional catalytic activity from their large proportion of under-coordinated surface sites which promote adsorption of reactant molecules.…
Because of the recent trends in Deep Neural Networks (DNN) models being memory-bound, inter-operator pipelining for DNN accelerators is emerging as a promising optimization. Inter-operator pipelining reduces costly on-chip global memory and…
Partial differential equations (PDE) often involve parameters, such as viscosity or density. An analysis of the PDE may involve considering a large range of parameter values, as occurs in uncertainty quantification, control and…
Geometry optimization is an important part of both computational materials and surface science because it is the path to finding ground state atomic structures and reaction pathways. These properties are used in the estimation of…
Brownian dynamics of colloidal particles on complex surfaces has found important applications in diverse physical, chemical and biological processes. However, current Brownian dynamics simulation algorithms mostly work for relatively simple…
Oils and fragrances can be encapsulated by using composite shells of silica nanoparticles, polymer and surfactant (potassium oleate). The template for the creation of the core-shell structure is a particle stabilized (Pickering) emulsion.…
Fault-tolerant quantum computing is a promising tool for simulating molecules and materials, but frequently-considered applications require substantial resources, and the gap between hardware capabilities and requirements remains…
Lorentz Transmission Electron Microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector Field Electron Tomography (VFET) can be used to reconstruct electromagnetic…
Nuclear quantum effects such as zero-point energy and hydrogen tunnelling play a central role in many biological and chemical processes. The nuclear-electronic orbital (NEO) approach captures these effects by treating selected nuclei…