Related papers: Designed Diamond Ground State via Optimized Isotro…
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…
Inverse statistical-mechanical methods have recently been employed to design optimized short-ranged radial (isotropic) pair potentials that robustly produce novel targeted classical ground-state many-particle configurations. The target…
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…
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,…
Materials adopting the diamond structure possess useful properties in atomic and colloidal systems, and are a popular target for synthesis in colloids where a photonic band gap is possible. The desirable photonic properties of the diamond…
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 introduce a one-parameter family, $0 \leq H \leq 1$, of pair potential functions with a single relative energy minimum that stabilize a range of vacancy-riddled crystals as ground states. The "quintic potential" is a short-ranged,…
Conventional wisdom presumes that low-coordinated crystal ground states require directional interactions. Using our recently introduced optimization procedure to achieve self-assembly of targeted structures (Phys. Rev. Lett. 95, 228301…
Carbon at extreme conditions is the focus of intensive scientific inquiry due to its importance for applications in inertial confinement fusion experiments and for understanding the interior structure of carbon-rich exoplanets. The extreme…
The ground-state phases of mixed diamond chains with ($S, \tau^{(1)}, \tau^{(2)})=(1/2,1/2,1)$, where $S$ is the magnitude of vertex spins, and $\tau^{(1)}$ and $\tau^{(2)}$ are those of apical spins, are investigated with the single-site…
The ground-state phases of anisotropic mixed diamond chains with spins 1 and 1/2 are investigated. Both single-site and exchange anisotropies are considered. We find the phases consisting of an array of uncorrelated spin-1 clusters…
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…
Stealthy potentials, a family of long-range isotropic pair potentials, produce infinitely degenerate disordered ground states at high densities and crystalline ground states at low densities in d-dimensional Euclidean space R^d. In the…
We consider finite discrete systems consisting of two different atomic types and investigate ground-state configurations for configurational energies featuring two-body short-ranged particle interactions. The atomic potentials favor some…
DNA-coated colloids are a popular model system for self-assembly through tunable interactions. The DNA-encoded linkages between particles theoretically allow for very high specificity, but generally no directionality or long-range…
Systems of particles interacting with "stealthy" pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely…
The ground states and finite-temperature properties of mixed diamond chains with spins 1 and 1/2 are investigated in the limit of strong easy-axis anisotropy on the spin-1 sites. Magnetization curves, entropy, specific heat and magnetic…
We investigate the ground-state phase diagram of a spin-1 diamond chain. Owing to a series of conservation laws, any eigenstate of this system can be expressed using the eigenstates of finite odd-length chains or infinite chains with spins…
The singular potential method in the Q tensor order parameter representation is used to determine the ground state configuration of an elastically anisotropic nematic liquid crystal when confined to a cylindrical geometry with homeotropic…
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…