We investigate the critical properties of the three-dimensional antiferromagnetic RP^{N-1} model, which is characterized by a global O(N) symmetry and a discrete Z_{2} gauge symmetry. We perform a field-theoretical analysis using the Landau-Ginzburg-Wilson (LGW) approach and a numerical Monte Carlo study. The LGW field-theoretical results are obtained by high-order perturbative analyses of the renormalization-group flow of the most general Φ^{4} theory with the same global symmetry as the model, assuming a gauge-invariant order-parameter field. For N=4 no stable fixed point is found, implying that any transition must necessarily be of first order. This is contradicted by the numerical results that provide strong evidence for a continuous transition. This suggests that gauge modes are not always irrelevant, as assumed by the LGW approach, but they may play an important role to determine the actual critical dynamics at the phase transition of O(N) symmetric models with a discrete Z_{2} gauge symmetry.
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http://dx.doi.org/10.1103/PhysRevE.97.012123 | DOI Listing |
J Neurol
January 2025
Department of Neurology, School of Medical Sciences, University of Campinas-UNICAMP, Universitaria "Zeferino Vaz", Rua Tessália Vieira de Camargo, 126. Cidade, Campinas, SP, 13083-887, Brazil.
Background: Skeletal and cardiac muscle damage have been increasingly recognized in female carriers of DMD pathogenic variants (DMDc). Little is known about cognitive impairment in these women or whether they have structural brain damage.
Objective: To characterize the cognitive profile in a Brazilian cohort of DMDc and determine whether they have structural brain abnormalities using multimodal MRI.
J Chem Phys
January 2025
School of Chemistry, Beihang University, Beijing 100191, China.
Dynamic density functional theory (DDFT) is a fruitful approach for modeling polymer dynamics, benefiting from its multiscale and hybrid nature. However, the Onsager coefficient, the only free parameter in DDFT, is primarily derived empirically, limiting the accuracy and broad application of DDFT. Herein, we propose a machine learning-based, bottom-up workflow to directly extract the Onsager coefficient from molecular simulations, circumventing partly heuristic assumptions in traditional approaches.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Theoretical and Computational Physics Section, Raja Ramanna Centre for Advanced Technology, Indore 452013, India.
The orbital-free density functional theory (OF-DFT) based method is a convenient tool to carry out electronic structure calculations scaling almost linearly with the number of electrons. However, the main impediment in the application of this method is the unavailability of the accurate form for the non-interacting kinetic energy functional in terms of electron density. The Pauli kinetic energy functional is the unknown part of the kinetic energy functional, and the corresponding Pauli potential appears in the governing Euler equation.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Advanced Artificial Intelligence Theoretical and Computational Chemistry Laboratory, School of Chemistry, University of Hyderabad, Hyderabad, Telangana 500046, India.
We present a directed electrostatics strategy integrated as a graph neural network (DESIGNN) approach for predicting stable nanocluster structures on their potential energy surfaces (PESs). The DESIGNN approach is a graph neural network (GNN)-based model for building structures of large atomic clusters with specific sizes and point-group symmetry. This model assists in the structure building of atomic metal clusters by predicting molecular electrostatic potential (MESP) topography minima on their structural evolution paths.
View Article and Find Full Text PDFSoft Matter
January 2025
Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan.
Nonequilibrium membrane pattern formation is studied using meshless membrane simulation. We consider that molecules bind to either surface of a bilayer membrane and move to the opposite leaflet by flip-flop. When binding does not modify the membrane properties and the transfer rates among the three states are cyclically symmetric, the membrane exhibits spiral-wave and homogeneous-cycling modes at high and low binding rates, respectively, as in an off-lattice cyclic Potts model.
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