We study the homogenization of the Thomas-Fermi-von Weizsacker (TFW) model for 2D materials. It consists in considering 2D-periodic nuclear densities with periods going to zero. We study the behavior of the corresponding ground state electronic densities and ground state energies. The main result is that these three dimensional problems converge to a limit model that is one dimensional. We also illustrate this convergence with numerical simulations and estimate the converging rate for the ground state electronic densities and the ground state energies.
{"title":"Homogenization of 2D materials in the Thomas-Fermi-von Weizsacker theory","authors":"Saad Benjelloun, Salma Lahbabi, Abdelqoddous Moussa","doi":"arxiv-2312.08067","DOIUrl":"https://doi.org/arxiv-2312.08067","url":null,"abstract":"We study the homogenization of the Thomas-Fermi-von Weizsacker (TFW) model\u0000for 2D materials. It consists in considering 2D-periodic nuclear densities with\u0000periods going to zero. We study the behavior of the corresponding ground state\u0000electronic densities and ground state energies. The main result is that these\u0000three dimensional problems converge to a limit model that is one dimensional.\u0000We also illustrate this convergence with numerical simulations and estimate the\u0000converging rate for the ground state electronic densities and the ground state\u0000energies.","PeriodicalId":501275,"journal":{"name":"arXiv - PHYS - Mathematical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138632587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sai Kubair Kota, Siddhant Kumar, Bianca Giovanardi
Slender beams are often employed as constituents in engineering materials and structures. Prior experiments on lattices of slender beams have highlighted their complex failure response, where the interplay between buckling and fracture plays a critical role. In this paper, we introduce a novel computational approach for modeling fracture in slender beams subjected to large deformations. We adopt a state-of-the-art geometrically exact Kirchhoff beam formulation to describe the finite deformations of beams in three-dimensions. We develop a discontinuous Galerkin finite element discretization of the beam governing equations, incorporating discontinuities in the position and tangent degrees of freedom at the inter-element boundaries of the finite elements. Before fracture initiation, we enforce compatibility of nodal positions and tangents weakly, via the exchange of variationally-consistent forces and moments at the interfaces between adjacent elements. At the onset of fracture, these forces and moments transition to cohesive laws modeling interface failure. We conduct a series of numerical tests to verify our computational framework against a set of benchmarks and we demonstrate its ability to capture the tensile and bending fracture modes in beams exhibiting large deformations. Finally, we present the validation of our framework against fracture experiments of dry spaghetti rods subjected to sudden relaxation of curvature.
{"title":"A discontinuous Galerkin / cohesive zone model approach for the computational modeling of fracture in geometrically exact slender beams","authors":"Sai Kubair Kota, Siddhant Kumar, Bianca Giovanardi","doi":"arxiv-2312.07349","DOIUrl":"https://doi.org/arxiv-2312.07349","url":null,"abstract":"Slender beams are often employed as constituents in engineering materials and\u0000structures. Prior experiments on lattices of slender beams have highlighted\u0000their complex failure response, where the interplay between buckling and\u0000fracture plays a critical role. In this paper, we introduce a novel\u0000computational approach for modeling fracture in slender beams subjected to\u0000large deformations. We adopt a state-of-the-art geometrically exact Kirchhoff\u0000beam formulation to describe the finite deformations of beams in\u0000three-dimensions. We develop a discontinuous Galerkin finite element\u0000discretization of the beam governing equations, incorporating discontinuities\u0000in the position and tangent degrees of freedom at the inter-element boundaries\u0000of the finite elements. Before fracture initiation, we enforce compatibility of\u0000nodal positions and tangents weakly, via the exchange of\u0000variationally-consistent forces and moments at the interfaces between adjacent\u0000elements. At the onset of fracture, these forces and moments transition to\u0000cohesive laws modeling interface failure. We conduct a series of numerical\u0000tests to verify our computational framework against a set of benchmarks and we\u0000demonstrate its ability to capture the tensile and bending fracture modes in\u0000beams exhibiting large deformations. Finally, we present the validation of our\u0000framework against fracture experiments of dry spaghetti rods subjected to\u0000sudden relaxation of curvature.","PeriodicalId":501275,"journal":{"name":"arXiv - PHYS - Mathematical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138628268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We study the quantum field theory (QFT) of a scalar field in the Schr"odinger picture in the functional formulation. We derive a formula for the evolution kernel in a flat expanding metric. We discuss a transition between Riemannian and pseudoRiemannian metrics (signature inversion). We express the real time Schr"odinger evolution by the Brownian motion (Feynman-Kac formula). We discuss the Feynman integral for a scalar field in a radiation background. We show that the unitary Schr"odinger evolution for positive time can go over for negative time into a dissipative evolution described by diffusive paths.
{"title":"Schrödinger evolution of a scalar field in Riemannian and pseudoRiemannian expanding metrics","authors":"Z. Haba","doi":"arxiv-2312.07677","DOIUrl":"https://doi.org/arxiv-2312.07677","url":null,"abstract":"We study the quantum field theory (QFT) of a scalar field in the\u0000Schr\"odinger picture in the functional formulation. We derive a formula for the evolution kernel in a flat expanding metric. We\u0000discuss a transition between Riemannian and pseudoRiemannian metrics (signature\u0000inversion). We express the real time Schr\"odinger evolution by the Brownian\u0000motion (Feynman-Kac formula). We discuss the Feynman integral for a scalar\u0000field in a radiation background. We show that the unitary Schr\"odinger\u0000evolution for positive time can go over for negative time into a dissipative\u0000evolution described by diffusive paths.","PeriodicalId":501275,"journal":{"name":"arXiv - PHYS - Mathematical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138628006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We develop a superspace formulation for ${cal N}=3$ conformal supergravity in four spacetime dimensions as a gauge theory of the superconformal group $mathsf{SU}(2,2|3)$. Upon imposing certain covariant constraints, the algebra of conformally covariant derivatives $nabla_A = (nabla_a,nabla_alpha^i,bar{nabla}_i^{dot alpha})$ is shown to be determined in terms of a single primary chiral spinor superfield, the super-Weyl spinor $W_alpha$ of dimension $+1/2$ and its conjugate. Associated with $W_alpha$ is its primary descendant $B^i{}_j$ of dimension $+2$, the super-Bach tensor, which determines the equation of motion for conformal supergravity. As an application of this construction, we present two different but equivalent action principles for ${cal N}=3$ conformal supergravity. We describe the model for linearised $mathcal{N}=3$ conformal supergravity in an arbitrary conformally flat background and demonstrate that it possesses $mathsf{U}(1)$ duality invariance. Additionally, upon degauging certain local symmetries, our superspace geometry is shown to reduce to the $mathsf{U}(3)$ superspace constructed by Howe more than four decades ago. Further degauging proves to lead to a new superspace formalism, called $mathsf{SU}(3) $ superspace, which can also be used to describe ${mathcal N}=3$ conformal supergravity. Our conformal superspace setting opens up the possibility to formulate the dynamics of the off-shell ${mathcal N}=3$ super Yang-Mills theory coupled to conformal supergravity.
{"title":"$mathcal{N}=3$ conformal superspace in four dimensions","authors":"Sergei M. Kuzenko, Emmanouil S. N. Raptakis","doi":"arxiv-2312.07242","DOIUrl":"https://doi.org/arxiv-2312.07242","url":null,"abstract":"We develop a superspace formulation for ${cal N}=3$ conformal supergravity\u0000in four spacetime dimensions as a gauge theory of the superconformal group\u0000$mathsf{SU}(2,2|3)$. Upon imposing certain covariant constraints, the algebra\u0000of conformally covariant derivatives $nabla_A =\u0000(nabla_a,nabla_alpha^i,bar{nabla}_i^{dot alpha})$ is shown to be\u0000determined in terms of a single primary chiral spinor superfield, the\u0000super-Weyl spinor $W_alpha$ of dimension $+1/2$ and its conjugate. Associated\u0000with $W_alpha$ is its primary descendant $B^i{}_j$ of dimension $+2$, the\u0000super-Bach tensor, which determines the equation of motion for conformal\u0000supergravity. As an application of this construction, we present two different\u0000but equivalent action principles for ${cal N}=3$ conformal supergravity. We\u0000describe the model for linearised $mathcal{N}=3$ conformal supergravity in an\u0000arbitrary conformally flat background and demonstrate that it possesses\u0000$mathsf{U}(1)$ duality invariance. Additionally, upon degauging certain local\u0000symmetries, our superspace geometry is shown to reduce to the $mathsf{U}(3)$\u0000superspace constructed by Howe more than four decades ago. Further degauging\u0000proves to lead to a new superspace formalism, called $mathsf{SU}(3) $\u0000superspace, which can also be used to describe ${mathcal N}=3$ conformal\u0000supergravity. Our conformal superspace setting opens up the possibility to\u0000formulate the dynamics of the off-shell ${mathcal N}=3$ super Yang-Mills\u0000theory coupled to conformal supergravity.","PeriodicalId":501275,"journal":{"name":"arXiv - PHYS - Mathematical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138628091","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This survey article is an invited contribution to the Encyclopedia of Mathematical Physics, 2nd edition. We provide an accessible overview on relevant applications of higher and derived geometry to theoretical physics, including higher gauge theory, higher geometric quantization and Batalin-Vilkovisky formalism.
{"title":"Higher geometry in physics","authors":"Luigi Alfonsi","doi":"arxiv-2312.07308","DOIUrl":"https://doi.org/arxiv-2312.07308","url":null,"abstract":"This survey article is an invited contribution to the Encyclopedia of\u0000Mathematical Physics, 2nd edition. We provide an accessible overview on\u0000relevant applications of higher and derived geometry to theoretical physics,\u0000including higher gauge theory, higher geometric quantization and\u0000Batalin-Vilkovisky formalism.","PeriodicalId":501275,"journal":{"name":"arXiv - PHYS - Mathematical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138628094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We introduce the energy-stepping Monte Carlo (ESMC) method, a Markov chain Monte Carlo (MCMC) algorithm based on the conventional dynamical interpretation of the proposal stage but employing an energy-stepping integrator. The energy-stepping integrator is quasi-explicit, symplectic, energy-conserving, and symmetry-preserving. As a result of the exact energy conservation of energy-stepping integrators, ESMC has a 100% acceptance ratio of the proposal states. Numerical tests provide empirical evidence that ESMC affords a number of additional benefits: the Markov chains it generates have weak autocorrelation, it has the ability to explore distant characteristic sets of the sampled probability distribution and it yields smaller errors than chains sampled with Hamiltonian Monte Carlo (HMC) and similar step sizes. Finally, ESMC benefits from the exact symmetry conservation properties of the energy-stepping integrator when sampling from potentials with built-in symmetries, whether explicitly known or not.
{"title":"The energy-stepping Monte Carlo method: an exactly symmetry-preserving, a Hamiltonian Monte Carlo method with a 100% acceptance ratio","authors":"Ignacio Romero, Michael Ortiz","doi":"arxiv-2312.07215","DOIUrl":"https://doi.org/arxiv-2312.07215","url":null,"abstract":"We introduce the energy-stepping Monte Carlo (ESMC) method, a Markov chain\u0000Monte Carlo (MCMC) algorithm based on the conventional dynamical interpretation\u0000of the proposal stage but employing an energy-stepping integrator. The\u0000energy-stepping integrator is quasi-explicit, symplectic, energy-conserving,\u0000and symmetry-preserving. As a result of the exact energy conservation of\u0000energy-stepping integrators, ESMC has a 100% acceptance ratio of the proposal\u0000states. Numerical tests provide empirical evidence that ESMC affords a number\u0000of additional benefits: the Markov chains it generates have weak\u0000autocorrelation, it has the ability to explore distant characteristic sets of\u0000the sampled probability distribution and it yields smaller errors than chains\u0000sampled with Hamiltonian Monte Carlo (HMC) and similar step sizes. Finally,\u0000ESMC benefits from the exact symmetry conservation properties of the\u0000energy-stepping integrator when sampling from potentials with built-in\u0000symmetries, whether explicitly known or not.","PeriodicalId":501275,"journal":{"name":"arXiv - PHYS - Mathematical Physics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138628097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
As a continuation of cite{me}, we consider ground states of the $N$ coupled fermionic nonlinear Schr"{o}dinger system with a parameter $a $ and the Coulomb potential $V(x)$ in the $L^2$-critical case, where $a>0$ represents the attractive strength of the quantum particles. For any given $Ninmathbb{N}^+$, we prove that the system admits ground states, if and only if the attractive strength $a$ satisfies $0