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Catumba, G.*; Hiraguchi, Atsuki; Hou, W.-S.*; Jansen, K.*; Kao, Y.-J.*; David Lin, C.-J.*; Ramos, A.*; Sarkar, M.*
Physical Review Research (Internet), 6(4), p.043172_1 - 043172_12, 2024/11
Gauge theories with matter fields in various representations play an important role in different branches of physics. Recently, it was proposed that several aspects of the interesting pseudogap phase of cuprate superconductors near optimal doping may be explained by an emergent SU(2) gauge symmetry. Around the transition with positive hole-doping, one can construct a (2+1)-dimensional SU(2) gauge theory coupled to four adjoint scalar fields which gives rise to a rich phase diagram with a myriad of phases having different broken symmetries. We study the phase diagram of this model on the Euclidean lattice using the Hybrid Monte Carlo algorithm. We find the existence of multiple broken phases as predicted by previous mean field studies. Depending on the quartic couplings, the SU(2) gauge symmetry is broken down either to U(1) or 
in the perturbative description of the model. We further study the confinement-deconfinement transition in this theory, and find that both the broken phases are deconfining in the range of volumes that we studied. However, there exists a marked difference in the behavior of the Polyakov loop between the two phases.
gauge fieldsCatumba, G.*; Hiraguchi, Atsuki; W.-S. Hou, G.*; Jansen, K.*; Kao, Y.-J.*; David Lin, C.-J.*; Ramos, A.*; Sarkar, M.*
Proceedings of Science (Internet), 453, p.87_1 - 87_9, 2024/11
We study the most general Two Higgs Doublet Model with gauge fields on the lattice. The phase space is probed through the computation of gauge-invariant global observables serving as proxies for order parameters. In each phase, the spectrum of the theory is analysed for different combinations of bare couplings and different symmetry breaking patterns. The scale setting and determination of the running gauge coupling are performed through the Wilson flow computation of the action density.
Catumba, G.*; Hiraguchi, Atsuki; W.-S. Hou, G.*; Jansen, K.*; Kao, Y.-J.*; David Lin, C.-J.*; Ramos, A.*; Sarkar, M.*
Proceedings of Science (Internet), 453, p.362_1 - 362_7, 2024/11
We study a 3-dimensional SU(2) gauge theory with 4 Higgs fields which transform under the adjoint representation of the gauge group, that has been recently proposed by Sachdev et al. to explain the physics of cuprate superconductors near optimal doping. The symmetric confining phase of the theory corresponds to the usual Fermi-liquid phase while the broken (Higgs) phase is associated with the interesting pseudogap phase of cuprates. We employ the Hybrid Monte-Carlo algorithm to study the phase diagram of the theory. We find the existence of a variety of broken phases in qualitative accordance with earlier mean-field predictions and discuss their role in cuprates. In addition, we investigate the behavior of Polyakov loop to probe the confinement/deconfinement phase transition, and find that the Higgs phase hosts a stable deconfining phase consistent with previous studies.
Hiraguchi, Atsuki; Zheng, X.*; Underwood, T. R.*; Kobayashi, Keita; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Rosso, K. M.*; Bourg, I. C.*; Okumura, Masahiko
no journal, ,
Understanding the radionuclide diffusion phenomena is crucial for the safe geological disposal of high-level radioactive waste. The diffusion in clay-water systems is particularly important for the performance of the artificial barrier made of bentonite. Numerical simulation is one of the best research methods for understanding the phenomenon at the microscopic level. Recently, large-scale molecular dynamics (MD) simulations of the systems with clay particles and water molecules were realized. In this presentation, we will show numerical simulation results of diffusion of cesium in the large system with MD. Our recent results suggest that cesium is less diffuse than sodium.
Hiraguchi, Atsuki; Zheng, X.*; Underwood, T. R.*; Kobayashi, Keita; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Rosso, K. M.*; Bourg, I. C.*; Okumura, Masahiko
no journal, ,
In order to evaluate the long-term safety of geological disposal of high-level radioactive waste, it is necessary to clarify and model the migration behavior of radionuclides in clay minerals used as buffer material on a molecular scale. In this study, we perform classical molecular dynamics simulations in clay minerals-water systems and evaluate free-energy profiles of clay minerals to clarify and model the diffusion behavior of cesium on a molecular scale.
Hiraguchi, Atsuki; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Okumura, Masahiko
no journal, ,
In order to evaluate the long-term safety of geological disposal of high-level radioactive waste, it is necessary to elucidate and model the migration behavior of radionuclides. Clay minerals are used as buffer materials to inhibit radionuclide migration, but the details of their diffusion behavior on a molecular scale are unknown. In this study, we perform large-scale molecular dynamics simulations of cesium diffusion in a clay mineral-water system to clarify the diffusion behavior of cesium on a molecular scale.
Hiraguchi, Atsuki
no journal, ,
Quark confinement is still an unsolved problem, and it has been studied in lattice gauge theories. One of the ideas of its mechanism is the dual Meissner effect. In this idea, condensation of color magnetic monopoles leads to confinement, and it is confirmed that monopoles contribute to confinement in lattice gauge Monte-Carlo simulations. Recently, topological data analysis has been employed to analyze monopole loops and distinguish phase boundaries of confinement in compact U(1) gauge theory and gauge fixed SU(3) gauge theory. In this research, we apply the persistent homology, which is a topological data analysis, to analyze space distributions of monopole loops and configurations of Higgs fields in SU(2)Higgs models. In addition, we discuss the connection between analysis results and physical quantities.
Hiraguchi, Atsuki; Zheng, X.*; Underwood, T. R.*; Kobayashi, Keita; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Rosso, K. M.*; Bourg, I. C.*; Okumura, Masahiko
no journal, ,
The migration behavior of radionuclides in clay minerals used as buffer material must be clarified for the long-term safety of geological disposal of high-level radioactive waste. The recent development of supercomputers enables us to perform large-scale classical molecular dynamics (MD) simulations to evaluate the adsorption properties of cation to clay minerals. We evaluated the free-energy profiles of cesium adsorption from mesopore to the interlayer of Na-montmorillonite by classical MD on a supercomputer. We found that the free-energy profiles of cesium adsorption depend on the interlayer distance of the Na-montmorillonite and mesopore salinity in the water system. In the presentation, we also discuss the distribution and diffusion coefficients of cesium ions.
Hiraguchi, Atsuki; Zheng, X.*; Underwood, T. R.*; Kobayashi, Keita; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Rosso, K. M.*; Bourg, I. C.*; Okumura, Masahiko
no journal, ,
In order to evaluate the long-term safety of geological disposal of high-level radioactive waste, it is necessary to understand the migration behavior of radionuclides in clay minerals used as buffer materials. In this study, the difference in the diffusion behavior of cesium and sodium ions in Na-montmorillonite is analyzed by evaluating the free energy using classical molecular dynamics simulations.
Hiraguchi, Atsuki; Zheng, X.*; Underwood, T. R.*; Kobayashi, Keita; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Rosso, K. M.*; Bourg, I. C.*; Okumura, Masahiko
no journal, ,
The migration behavior of radionuclides in clay minerals used as buffer material must be clarified for the long-term safety of geological disposal of high-level radioactive waste. We can investigate diffusion/adsorption behavior of cesium ion and sodium ion in clay minerals and water systems at molecular scale using molecular dynamics simulation on a supercomputing system. In this study, we evaluated the free energy profiles of cesium and sodium ions adsorption to the interlayer of Na-montmorillonite from bulk water in mesopore. As a result, we found that the minimum of free energy profiles of these cations locates in the interlayer of Na-montmorillonite, and the minimum of free energy profile of cesium is lower than that of sodium. This result shows that the affinity of cesium ion to Na-montmorillonite is stronger than that of sodium ion. Moreover, we confirmed that the affinities of both cations to Na-montmorillonite decrease with salinity increase, and these cations maintain their adsorption mechanism. In the presentation, we discuss layer charge and layer size dependence on the free energy profiles of these cations.
