Related papers: Minimizing lattice structures for Morse potential …
We investigate two-dimensional crystallization phenomena, i.e. minimality of a lattice's patch for interaction energies, with pair potentials of type $(x,y)\mapsto V(\|x-y\|)$ where $\|\cdot\|$ is an arbitrary norm on $\mathbb{R}^2$ and…
We present a systematic theoretical study on the structural and electronic properties of twisted trilayer transition metal dichalcogenide (TMD) WSe$_2$, where two independent moir\'e patterns form between adjacent layers. Using a continuum…
The reduced density matrix of an interacting system can be used as the basis for a truncation scheme, or in an unbiased method to discover the strongest kind of correlation in the ground state. In this paper, we investigate the structure of…
Interest in components with detailed structures increased with the progress in advanced manufacturing techniques in recent years. Parts with graded lattice elements can provide interesting mechanical, thermal, and acoustic properties…
Hard core lattice gas models are minimal models to study entropy driven phase transitions. In the $k$-NN lattice gas, a particle excludes all sites upto the $k$-th next-nearest neighbors from being occupied by another particle. As $k$…
We analyze the macroscopic dynamics of a Bose gas in a harmonic trap with a superimposed two-dimensional optical lattice, assuming a weak coupling between different lattice sites. We consider the situation in which the local chemical…
Motivated by Mo$_3$S$_7$(dmit)$_3$, we investigate the Hubbard model on the triangular necklace lattice at two-thirds filling. We show, using second order perturbation theory, that in the molecular limit, the ground state and the low energy…
A novel framework is proposed to extract near-threshold resonant states from finite-volume energy levels of lattice QCD and is applied to elucidate structures of the positive parity $D_s$. The quark model, the quark-pair-creation mechanism…
A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four,…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
First principles FLAPW- GGA calculations have been performed to predict the structural, electronic, cohesive and magnetic properties for hexagonal WC doped with all 3d metals. The optimized lattice parameters, density of states, cohesive…
Lattice techniques are the most reliable ones to investigate the QCD phase diagram in the temperature-baryon density (chemical potential) plane. These techniques are, however, well-known to be saddled with a variety of problems at nonzero…
An optimization method for the design of multi-lattice structures satisfying local buckling constraints is proposed in this paper. First, the concept of free material optimization is introduced to find an optimal elastic tensor distribution…
Lattice structures and thin-walled tubes are two types of energy-absorbers widely studied and applied in engineering practice. In this study, a new type of lattice-structure filled thin-walled tube (LFT) was proposed. In this new type of…
The optimal lattice quantizer is the lattice which minimizes the (dimensionless) second moment $G$. In dimensions $1$ to $8$, it has been proven that the optimal lattice quantizer is one of the classical lattices, or there is good evidence…
A unified treatment of slip and twinning in Bravais lattices is given, focussing on the case of cubic symmetry, and using the Ericksen energy well formulation, so that interfaces correspond to rank-one connections between the infinitely…
Computational methods for designing interactions between colloidal particles that induce self-assembly have received much attention for their promise to discover tailored materials. However, it often remains a challenge to translate…
Optimal geometrical arrangements, such as the stacking of atoms, are of relevance in diverse disciplines. A classic problem is the determination of the optimal arrangement of spheres in three dimensions in order to achieve the highest…
The development of patch test consistent quasicontinuum energies for multi-dimensional crystalline solids modeled by many-body potentials remains a challenge. The original quasicontinuum energy (QCE) has been implemented for many-body…
In this chapter, the current status on baryon-baryon interactions such as nuclear forces in lattice Quantum ChromoDynamics (QCD) is reviewed. In studies of baryon-baryon interactions in lattice QCD, the most reliable method so far is the…