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We show that neural networks trained by evolutionary reinforcement learning can enact efficient molecular self-assembly protocols. Presented with molecular simulation trajectories, networks learn to change temperature and chemical potential…
A general theory for the melting of two dimensional solids explaining the universal and non-universal properties is an open problem up to date. Although the celebrated KTHNY theory have been able to predict the critical properties of the…
In this thesis we will present and discuss various results pertaining to tiling problems and mathematical logic, specifically computability theory. We focus on Wang prototiles, as defined in [32]. We begin by studying Domino Problems, and…
There is evidence that the self-assembly of complex molecular systems often proceeds hierarchically, by first building subunits that later assemble in larger entities, in a process that can repeat multiple times. Yet, our understanding of…
We present a 2D model for a grate belt cooler in the pyro-section of a cement plant. The model is formulated as an index-1 differential-algebraic equation (DAE) model based on first engineering principles. The model systematically…
Algorithms for simulating complex physical systems or solving difficult optimization problems often resort to an annealing process. Rather than simulating the system at the temperature of interest, an annealing algorithm starts at a…
We consider atomistic geometry relaxation in the context of linear tight binding models for point defects. A limiting model as Fermi-temperature is sent to zero is formulated, and an exponential rate of convergence for the nuclei…
Thermally coupled distillation is a new energy-saving method, but the traditional thermally coupled distillation simulation calculation process is complicated, and the optimization method based on the traditional simulation process is…
We consider the leading non-analytic temperature dependence of the specific heat and temperature and momentum dependence of the spin susceptibility for two dimensional fermionic systems with non-circular Fermi surfaces. We demonstrate the…
The thermal conductivity of nanometric objects or nanostructured materials can be determined using non equilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate…
General conservation equations are derived for 2D dense granular flows from the Euler equation within the Boussinesq approximation. In steady flows, the 2D fields of granular temperature, vorticity and stream function are shown to be…
Inspired by tau-tilting theory [AIR], we introduce the notion of nu-stable support tau-tilting modules. For any finite dimensional selfinjective algebra {\Lambda}, we give bijections between two-term tilting complexes in Kb(proj {\Lambda}),…
After developing an appropriate iteration procedure for the determination of the parameters, the method of simulated tempering has been successfully applied to the 2D Ising spin glass. The reduction of the slowing down is comparable to that…
In this paper we develop a new general Bayesian methodology that simultaneously estimates parameters of interest and the marginal likelihood of the model. The proposed methodology builds on Simulated Tempering, which is a powerful algorithm…
Purpose - This paper presents a first step toward developing a comprehensive methodology for fully resolved numerical simulations of fusion deposition modeling. Design/methodology/approach - A front-tracking/finite volume method previously…
We discuss the thermodynamics of the O(N) nonlinear sigma model in 1+1 dimensions. In particular we investigate the NLO 1/N correction to the 1PI finite temperature effective potential expressed in terms of an auxiliary field. The effective…
In this paper we study a class of physical systems that combine a finite number of mechanical and thermodynamic observables. We call them finite dimensional thermo-mechanical systems. We introduce these systems by means of simple examples.…
The electric field grading of dielectric permittivity gradient devices is an effective way of enhancing their insulation properties. The in-situ electric field-driven assembly is an advanced method for the fabrication of insulation devices…
We present an analytically solvable model for self-assembly of a molecular complex on a filament. The process is driven by a seed molecule that undergoes facilitated diffusion, which is a search strategy that combines diffusion in…
Topic is the divertor broadening $S$, being a result of perpendicular transport in the scrape-off layer and resulting in a better distribution of the power load onto the divertor target. Recent studies show a scaling of the divertor…