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Context. While the shapes of many observed bow shocks can be reproduced by simple astrosphere models, more elaborate approaches have recently been used to explain differing observable structures. Aims. By placing perturbations of an…
Active structures have the ability to change their shape, properties, and functionality as a response to changing operational conditions, which makes them more versatile than their static counterparts. However, most active structures…
Molecular dynamics simulations have been employed to study the formation of a physical (thermoreversible) gel by amphiphilic A-B-A triblock copolymers in aqueous solution. In order to mimic the structure of hydrogel-forming polypeptides…
In computational biochemistry and biophysics, understanding the role of electrostatic interactions is crucial for elucidating the structure, dynamics, and function of biomolecules. The Poisson-Boltzmann (PB) equation is a foundational tool…
Refractory body-centered cubic (BCC) metals and alloys are of extraordinary importance in modern technological and structural applications. However, their wider adoption in science and technology is severely restricted by low-temperature…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
Collisionless, turbulent plasmas surround the Earth, from the magnetosphere to the intergalactic medium, and the fluctuations within them affect nearly every field in the space sciences, from space weather forecasts to theories of galaxy…
We study a composite model of two $1D$ $PXP$ chains with dual constraints, forming a junction that acts as an infinite kinematic barrier to quantum information exchange. Moreover, the hard wall at the junction which acts as a perfect…
Materials that change their shape in response to external stimuli opens up new prospects for efficient and versatile design and shaping of three-dimensional objects. Here, we present a novel class of micro-structures exhibiting an…
The formation of correlated structures is of importance in many diverse contexts such as strongly coupled plasmas, soft matter, and even biological mediums. In all these contexts the dynamics are mainly governed by electrostatic…
Materials used in commercial D-T fusion reactors will be exposed to irradiation and a mixture of helium and hydrogen plasma. Modeling the microstructural evolution of such materials requires the use of large-scale molecular dynamics…
The motivation of this work is to produce an integrated formulation for material response due to detonation wave loading. Here, we focus on elastoplastic structural response. In particular, we are interested to capture miscible and…
Mapping microstructure to properties is central to materials science. Perhaps most famously, the Hall-Petch relationship relates average grain size to strength. More challenging has been deriving relationships for properties that depend on…
In three-dimensional electromagnetic configurations that result from unstable resistive tearing modes particles can efficiently be accelerated to relativistic energies. To prove this resistive magnetohydrodynamic simulations are used as…
The present status of the mapped interacting boson model studies on nuclear structure is reviewed. With the assumption that the nuclear surface deformation induced by the multi-nucleon dynamics is simulated by bosonic degrees of freedom,…
Regions of energy localization referred to as hotspots are known to govern shock initiation and the run-to-detonation in energetic materials. Mounting computational evidence points to accelerated chemistry in hotspots from large…
Models of core-collapse supernova explosions powered by the neutrino-driven mechanism have matured considerable in recent years. Explosions at the low-mass end of the progenitor spectrum can routinely be simulated in 1D, 2D, and 3D and…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
We develop a microscopic calculation scheme for the excitation spectrum of a single-electron atom localized near a dielectric nanostructure. The atom originally has an arbitrary degenerate structure of its Zeeman sublevels on its closed…
Bubble-based metamaterials have been extensively studied both theoretically and experimentally thanks to their simple geometry and their ability to manipulate acoustic waves. The latter is partly dependent on the structural characteristics…