相关论文: Dimensionality and design of isotropic interaction…

We devise an inverse statistical-mechanical methodology to find optimized interaction potentials that lead spontaneously to a target many-particle configuration. Target structures can possess varying degrees of disorder, thus extending the…

Using ground-state and relative-entropy based inverse design strategies, isotropic interactions with an attractive well are determined to stabilize and promote as- sembly of particles into two-dimensional square, honeycomb, and kagome…

We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or temperature. Specifically, we find isotropic,convex-repulsive…

Using a recently introduced formulation of the ground-state inverse design problem for a targeted lattice [Pi\~neros et al., J. Chem. Phys. 144} 084502 (2016)], we discover purely repulsive and isotropic pair interactions that stabilize…

Using inverse statistical-mechanical optimization techniques, we have discovered isotropic pair interaction potentials with strongly repulsive cores that cause the tetrahedrally coordinated diamond and wurtzite lattices to stabilize, as…

We use molecular simulation to construct equilibrium phase diagrams for two recently introduced model materials with isotropic, soft-repulsive pair interactions designed to favor diamond and simple cubic lattice ground states, respectively,…

Two-dimensional lattices provide the arena for many physics problems of essential importance, a non-trivial symmetry in such lattices will help to reveal the underlying physics. Whether there is a directional scaling for the 2D lattices is…

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…

Configurational entropy can impact crystallization processes, tipping the scales between structures of nearly equal internal energy. Using alloyed single crystals of Gd2PdSi3 in the AlB2-type structure, we explore the formation of complex…

We have previously used inverse statistical-mechanical methods to optimize isotropic pair interactions with multiple extrema to yield low-coordinated crystal classical ground states (e.g., honeycomb and diamond structures) in d-dimensional…

The recent proposal of Romero-Isart {\em et al.}~\cite{romero-isart_superconducting_2013} to utilize the vortex lattice phases of superconducting materials to prepare a lattice for ultra-cold atoms-based quantum emulators, raises the need…

We present a numerical study of the Hubbard model on simply stacked honeycomb and square lattices, motivated by a recent experimental realization of such models with ultracold atoms in optical lattices. We perform simulations with different…

We present Monte Carlo simulation results for a two-dimensional Ising model with ferromagnetic nearest-neighbor couplings and a competing long-range dipolar interaction on a honeycomb lattice. Both structural and thermodynamic properties…

We demonstrate that inverse statistical mechanical optimization can be used to discover simple (e.g., short-range, isotropic, and convex-repulsive) pairwise interparticle potentials with three-dimensional diamond or simple cubic lattice…

Inverse methods of statistical mechanics have facilitated the discovery of pair potentials that stabilize a wide variety of targeted lattices at zero temperature. However, such methods are complicated by the need to compare, within the…

We map certain highly correlated electron systems on lattices with geometrical frustration in the motion of added particles or holes to the spatial defect-defect correlations of dimer models in different geometries. These models are studied…

We consider different generalizations of the honeycomb lattice to three dimensional structures. We address the family of the hyper-honeycomb lattice, which is made up of alternating layers of 2D honeycomb nano-ribbons, with each layer…

We discuss magnetically ordered states, arising in Heisenberg-Kitaev and related spin models, on three-dimensional (3D) harmonic honeycomb lattices. For large classes of ordered states, we show that they can be mapped onto two-dimensional…

We study a system of particles in two dimensions interacting via a dipolar long-range potential $D/r^3$ and subject to a square-lattice substrate potential $V({\bf r})$ with amplitude $V$ and lattice constant $b$. The isotropic interaction…

Due to elastic anisotropy, two-dimensional patterning of substrates can promote weak azimuthal alignment of adjacent nematic liquid crystals. Here, we consider how such alignment can be achieved using a periodic square lattice of circular…