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Modern optical systems are subject to very restrictive performance, size and cost requirements. Especially in portable systems size often is the most important factor, which necessitates elaborate designs to achieve the desired…
Particle-producing targets in high-energy research facilities are often made from refractory metals, and they typically require dedicated cooling systems due to the challenging thermomechanical conditions they experience. However, direct…
The formation and evolution of nonlinear and turbulent dynamical structures in two-dimensional complex plasmas and fluids is explored by means of generalised (drift) fluid simulations. Recent numerical results on turbulence in dusty…
Liquid-metal infiltrated Cu30Mo70 (weigth percentage) is subjected to severe plastic deformation using high pressure torsion. The initially equiaxed dual phase structure is gradually transformed into a lamellar structure composed of…
The porous titanium nickelide is very popular in various industries due to unique combination of physical and mechanical properties such as shape memory effect, high corrosion resistance, and biocompatibility. The non-equilibrium molecular…
A constant supply of oxygen has been assumed to be necessary for the growth of titanium nanoparticles by sputtering. This oxygen supply can arise from a high background pressure in the vacuum system or from a purposely supplied gas. The…
Powder bed fusion is a widely used additive manufacturing (AM) process for producing complex, small-batch parts that are impractical to manufacture using conventional methods. However, its broader adoption is hindered by process-induced…
An approach to achieve nuclear fusion utilizing the formation of high densities of electrons and neutrals is described. The profusion of low energy electrons provides high dynamic electric fields that help reduce the Coulomb barrier in…
Linear nanotubular boron-carbon heterojunctions are systematically constructed and studied with the help of ab initio total energy calculations. The structural compatibility of the two classes of materials is shown, and a simple recipe that…
A forefront area of research concerns the exploration of the properties of hadronic matter under extreme conditions of temperature and density, and the determination of the equation of state--the relation between pressure, temperature and…
Several interesting phenomena are observed when materials are put under pressure. The goal is to achieve modification and control over their mechanical and electronic (conduction) properties. Within this spirit, we have recently focused our…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
Turbulent diffuse molecular clouds can exhibit complicated morphologies caused by the interactions among radiation, chemistry, fluids, and fields. We performed full 3D simulations for turbulent diffuse molecular interstellar media,…
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By controlling the ion parameters including mass, energy and…
Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential.…
Computational modeling is usually applied to aid experimental exploration of advanced materials to better understand the fundamental plasticity mechanisms during mechanical testing. In this work, we perform Molecular dynamics (MD)…
Materials are subjected to energetic particles in a number of radiation environments,and are hence prone to undesirable (radiation) damage.We report here the superiority of the nanocrystalline phase over bulk for radiation tolerance under…
Nuclear fusion devices are constantly under the threat of malfunctions coming from the damages of plasma-facing materials due to being affected by thermal heat loads. The frequent heat loads during some transient events in large-scale…
The compressive and post-buckling behavior of Ti2C and Ti2CO2 MXene nanosheets is studied using large-scale reactive molecular dynamics simulations. Nanosheets are subjected to uniaxial, biaxial, and shear loads to investigate their…
A novel combination of discontinuous molecular dynamics and the Langevin equation, together with an intermediate-resolution model, are used to carry out long (several $\mu$s) simulation and study folding transition and transport of proteins…