Related papers: Enhanced solid solution hardening by off-center su…
On the basis of the classical dislocation theory, the Solid Solution Hardening (SSH) is commonly ascribed to the pinning of the edge dislocations. At the atomic level, the theoretical study of the dislocation cores contrasts with such a…
In this paper we analytically study the effects of the lattice discreteness on the electron band in the SSH model. We propose a modified version of the TLM model which is derived from the SSH model using a continuum approximation. When a…
Improving the high-temperature performance and low-temperature plasticity of tantalum (Ta) alloys is a significant scientific challenge. We employed first-principles calculations to study the interaction between screw dislocations and…
Molecular static simulations have been performed to study the interaction between a single dislocation and a substitutional Al solute atom in a pure crystal of Ni. When the Al solute is situated at intermediate distance from the slip plane,…
Thermal spike model (TSM) is presently a widely accepted mechanism of swift heavy ion (SHI) - matter interaction. It provides explanation to various SHI induced effects including mixing across interfaces. The model involves electron-phonon…
We study the Extended Bose-Hubbard Model with a three-body onsite interaction. Using an exact diagonalization method and a variational Matrix Product States algorithm, \emph{Alps mps-optim}, we compute and analyse the energy charge gap and…
Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…
The present work reports new total photoabsorption cross sections for the $N=Z$ nuclei in the $sd$-shell $^{20}$Ne, $^{24}$Mg, $^{28}$Si, $^{32}$S, $^{36}$Ar, and for $^{26}$Mg. The results are compared to predictions of a data-driven…
We investigate the spectral properties of the Su-Schrieffer-Heeger (SSH) model with sublattice-dependent onsite nonlinearity. Two complementary approaches are employed in our studies. First, Bloch state solutions under periodic boundary…
The Su-Schrieffer-Heeger (SSH) model, which captures the most striking transport properties of the conductive organic polymer $trans$-polyacetylene, provides perhaps the most basic model system supporting topological excitations. The…
Used for centuries to enhance mechanical properties of materials, solid solution strengthening (SSS) is a classical metallurgical method in which small amounts of impurity elements are added to a base metal. Developed for dilute alloys,…
We investigate the search prospects for new scalars beyond the Standard Model (SM) at the Large Hadron Collider (LHC). In these studies two real scalars $S$ and $\chi$ have been introduced in a two Higgs doublet model (2HDM), where $S$ is a…
This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…
Recent experimental advance in creating dissipative couplings provides a new route for engineering exotic lattice systems and exploring topological dissipation. Using the spatial lattice of atomic spinwaves in a vacuum vapor cell, where…
Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…
We employ two different atomistic methods to investigate solute-defect interactions in nanosized palladium-hydrogen (Pd-H) systems across multiple time scales. The first method, referred to as Diffusive Molecular Dynamics (DMD), focuses on…
Presented in this thesis are a set of projects which lie at the intersection between strong correlations and topological phases of matter. The first of these projects is a treatment of an infinite dimensional generalization of the SSH model…
We analyze interacting ultra-cold bosonic atoms in a one-dimensional (1D) super-lattice potential with alternating tunneling rates t_1 and t_2 and inversion symmetry, which is the bosonic analogue of the Su-Schrieffer-Heeger (SSH) model. A…
We show anisotropy of the dipole interaction between magnetic atoms or polar molecules can stabilize new quantum phases in an optical lattice. Using a well controlled numerical method based on the tensor network algorithm, we calculate…
There is a broad interest in enhancing the strength of light-atom interactions to the point where injecting a single photon induces a nonlinear material response. Here, we show theoretically that sub-Doppler-cooled, two-level atoms that are…