相关论文: Revisiting the domain model for lithium intercalat…
Glauber dynamics of a bond-diluted Ising model on a Bethe lattice (a random graph with fixed connectivity) is investigated by an approximate theory which provides exact results for equilibrium properties. The time-dependent solutions of the…
We discuss the Monte Carlo method of simulating lattice field theories as a means of studying the low-energy effective theory of graphene. We also report on simulational results obtained using the Metropolis and Hybrid Monte Carlo methods…
Quantum graphity offers the intriguing notion that space emerges in the low energy states of the spatial degrees of freedom of a dynamical lattice. Here we investigate metastable domain structures which are likely to exist in the low energy…
Recent heat-capacity experiments show quite unambiguously the existence of a liquid $^3$He phase adsorbed on graphite. This liquid is stable at an extremely low density, possibly one of the lowest found in Nature. Previous theoretical…
Based on the mean-field method applied either to the extended single-band Hubbard model or to the single-band Peierls-Hubbard Hamiltonian we study the stability of both site-centered and bond-centered charge domain walls. The difference in…
The evaluation of phase stabilities of unstable elemental phases is a long-standing problem in the computational assessment of phase diagrams. Here we tackle this problem by explicitly calculating phase diagrams of intermetallic systems…
This work confirms the stability of a class of domain wall lattice models that can produce accelerated cosmological expansion, with pressure to density ratio $w=-1/3$ at early times, and with $w=-2/3$ at late times when the lattice scale…
We study boundary induced phase transitions in a driven lattice gas exhibiting metastability. The phase diagram for open systems, parameterized by the input and output rates, consists of two regions corresponding to the free flow and jammed…
Exact analyses are given for two three-dimensional lattice systems: A system of close-packed dimers placed in layers of honeycomb lattices and a layered triangular-lattice interacting domain wall model, both with nontrivial interlayer…
Domain walls between different topological phases are one of the most interesting phenomena that reveal the non-trivial bulk properties of topological phases. Very recently, gapped domain walls between different topological phases have been…
We develop a mean-field description including spatial structure for a simplified version of the three-state active matter model studied by Venzel et al. (Phys. Rev. E 110, 014109 (2024)). The resulting triangular lattice of coupled…
We present comprehensive theoretical studies on the lattice relaxation and the electronic structures in general non-symemtric twisted trilayer graphenes. By using an effective continuum model, we show that the relaxed lattice structure…
Quantum fluctuations of periodic domain-wall arrays in two-dimensional incommensurate states at zero temperature are investigated using the elastic theory in the vicinity of the commensurate-incommensurate transition point. Both stripe and…
Using density functional theory calculations, we have investigated the structural, energetic, and electronic properties of ternary graphite intercalation compounds (GICs) containing alkali atoms (AM) and normal alkylamine molecules (nC$x$),…
Lattice mismatch can substantially impact the spatial organization of heterogeneous materials. We examine a simple model for lattice-mismatched solids over a broad range of temperature and composition, revealing both uniform and spatially…
We report a preliminary numerical study by kinetic Monte Carlo simulation of the dynamics of phase separation following a quench from high to low temperature in a system with a single, conserved, scalar order parameter (a kinetic Ising…
Imposing incommensurable periodicity on the periodic atomic lattice can lead to complex structural phases consisting of locally periodic structure bounded by topological defects. Twisted trilayer graphene (TTG) is an ideal material platform…
We present an analytical and numerical study of a nonlinear diffusion model which describes density relaxation of loosely packed particles under gravity and weak random (thermal) vibration, and compare the results with Monte Carlo…
Using density functional theory the ground state structural, electronic, and magnetic properties of monatomic lithium and sodium chains with low average density are investigated. A metallic, zigzag ground state structure is predicted but,…
The random current representation of the Ising model, along with a related path expansion, has been a source of insight on the stochastic geometric underpinning of the ferromagnetic model's phase structure and critical behavior in different…