Related papers: Revisiting the domain model for lithium intercalat…
In this paper, the validity and accuracy of three interatomic potentials and the continuum shell model of Ghaffari and Sauer [1] are investigated. The mechanical behavior of single-layered graphene sheets (SLGSs) under uniaxial stretching,…
We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commensurate supercells that correspond to twist angles of…
The process of anion intercalation in graphite and its reversibility plays a crucial role in the next generation energy-storage devices. Herein the reaction mechanism of the aluminum graphite dual ion cell by operando X-ray scattering from…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
We show how one can generate domain walls that separate high- and low-density regions with opposite momenta in the ground state of a harmonically trapped Bose-Einstein condensate using a density-dependent gauge potential. Within a…
We study a phase transition in a 3D lattice gauge theory, a "coarse-grained" version of a classical dimer model. Duality arguments indicate that the dimer lattice theory should be dual to a XY model coupled to a gauge field with geometric…
Ferroelectric domain inversion and its effect on the stability of lithium niobate thin films on insulator (LNOI) are experimentally characterized. Two sets of specimens with different thicknesses varying from submicron to microns are…
We present results of molecular dynamics simulations on lithium metasilicate over a broad range of temperatures for which the silicate network is frozen in but the lithium ions can still be equilibrated. The lithium dynamics is studied via…
We combine high-level theoretical and \emph{ab initio} understanding of graphite to develop a simple, parametrised force-field model of interlayer binding in graphite, including the difficult non-pairwise-additive coupled-fluctuation…
We develop a theory of the domain patterns in systems with competing short-range attractive interactions and long range repulsive Coulomb interactions. We take an energetic approach, in which patterns are considered as critical points of a…
We revisited the phase diagram of the second layer of 4He on top of graphite using quantum Monte Carlo methods. Our aim was to explore the existence of the novel phases suggested recently in experimental works, and determine their…
Using an efficient one and two qubit gate simulator, operating on graphical processing units, we investigate ergodic properties of a quantum Ising spin 1/2 model on a two dimensional lattice, which is periodically driven by a…
The detailed study of the graphene (gr) moir\'e superlattices emerging due to the mismatch between the substrate's and gr-overlayer crystal lattices is inevitable because of its high technological relevance. However, little is known about…
A stochastical description is applied in order to understand how ferroelectric structures can be formed. The predictions are compared with experimental data of the so-called electrical fixing: Domains are patterned in photorefractive…
Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a…
Theory predicts that double layer systems realize "two-component composite fermions," which are formed when electrons capture both intra- and inter-layer vortices, to produce a wide variety of new strongly correlated liquid and crystal…
We present results from simulations of two flavor QCD thermodynamics at N_t=4 with domain wall fermions. In contrast to other lattice fermion formulations, domain wall fermions preserve the full chiral symmetry of the continuum at finite…
The study of dynamical large deviations allows for a characterization of stationary states of lattice gas models out of equilibrium conditioned on averages of dynamical observables. The application of this framework to the two-dimensional…
We experimentally investigate the stability of a quantum gas with repulsive interactions in an optical 1D lattice subjected to periodic driving. Excitations of the gas in the lowest lattice band are analyzed across the complete stability…
Critical properties of the Ising model on a stacked triangular lattice, with antiferromagnetic first and second-neighbor in-plane interactions, are studied by extensive histogram Monte Carlo simulations. The results, in conjunction with the…