Article
Physics, Multidisciplinary
Hai-Tao Wu, Xu-Chong Hu, X. R. Wang
Summary: This paper investigates the nature of skyrmion stripes and the metastability of different skyrmion states in chiral magnetic films. It demonstrates the precise control and manipulation of skyrmion stripes in designed structures, as well as the transformation between helical states and skyrmion crystals (SkXs). The study shows how to generate different stripe phases and mosaic structures using patterned magnetic fields and spin-transfer torques (STTs), and also explores methods of transforming helical states and SkXs by cutting and coalescing stripes with external fields.
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
(2022)
Article
Physics, Multidisciplinary
Jonas Schwab, Lukas Janssen, Kai Sun, Zi Yang Meng, Igor F. Herbut, Matthias Vojta, Fakher F. Assaad
Summary: We investigate nematic quantum phase transitions in two different Dirac fermion models, finding that both models exhibit continuous phase transitions characterized by large velocity anisotropies in the quantum critical regime.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
Russell K. W. Spencer, Bae-Yeun Ha, Nima Saeidi
Summary: Many macromolecules in both biological and technological fields are chiral and semi-flexible. This study presents a method to study the formation of chiral nematic phases, offering a new approach to understanding the behavior of semi-flexible chiral-nematic polymers.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
Jeffrey C. Everts, Bohdan Senyuk, Haridas Mundoor, Miha Ravnik, Ivan I. Smalyukh
Summary: This study demonstrates anisotropic electrostatic screening for charged colloidal particles in a nematic electrolyte, showing that material anisotropy behaves differently from particle anisotropy. The research explores the effects of anisotropic screening on charged near-spherical colloidal particles in a nematic medium, revealing competing anisotropic elastic and electrostatic effective pair interactions. Overall, the work contributes to the understanding of electrostatic screening in nematic anisotropic media.
Article
Physics, Fluids & Plasmas
Ilnaz I. Fairushin, Anatolii V. Mokshin
Summary: In this paper, a theoretical formalism is presented to describe the collective ion dynamics of nonideal Coulomb one-component plasmas based on the self-consistent relaxation theory. The theory takes into account correlations between the frequency relaxation parameters and parameters associated with two-particle dynamics. The calculated dynamic structure factor spectra and dispersion characteristics are found to be in agreement with molecular dynamics simulation data and the results obtained with the theory of frequency moments.
Article
Crystallography
Takahiro Ichikawa, Mei Kuwana, Kaori Suda
Summary: We designed an ionic salt by combining a pi-conjugated anion and a cholinium cation. It formed homogeneous mixtures with water in various weight ratios and exhibited chromonic liquid-crystalline behavior in a wider concentration range than similar compounds with inorganic cations. The cholinium cation not only showed nematic phases, but also hexagonal columnar phases, due to its ability to form mesophases even at high concentrations.
Article
Chemistry, Physical
Jincheng Lei, Tianyu Zhu
Summary: We propose a quasiparticle self-consistent GW (QSGW) implementation for periodic systems based on crystalline Gaussian basis sets, and benchmark it on a set of materials. Our results show that QSGW provides a more consistent prediction of spectral properties compared to G(0)W(0) and reduces the dependence on the choice of density functionals.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Computer Science, Interdisciplinary Applications
A. Bjelcic, T. Niksic
Summary: We present version 2.0.0 of the DIRQFAM code, which calculates the multipole response of deformed nuclei using the relativistic self-consistent mean-field models framework. The response is computed using the finite amplitude method for relativistic quasiparticle random phase approximation. In this new version, various additional features have been implemented, such as meson-exchange interactions and evaluation of the nucleon localization function.
COMPUTER PHYSICS COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Kyle R. Bryenton, Erin R. Johnson
Summary: London dispersion is a weak intermolecular force that arises from interactions between instantaneous dipole moments. It is the dominant attractive force between nonpolar species and plays a crucial role in determining various properties. Standard methods in density-functional theory do not consider dispersion contributions, so additional correction models such as XDM or MBD are required. Recent studies have focused on the accurate capture of many-body effects on dispersion. By studying quantum harmonic oscillators, we compare the performance of XDM and MBD in terms of dispersion coefficients, energies, and 3-body energy contributions.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Mathematics, Applied
Mirko Ruppert, Walter Zimmermann
Summary: Nonlinear stripe patterns are stable at different wavenumbers q and can evolve into different stable patterns through instabilities, influenced by system size and boundary conditions. In small system sizes, periodic patterns can be stable in certain parameter ranges simultaneously.
Article
Chemistry, Multidisciplinary
Arno Forster, Lucas Visscher
Summary: An all-electron implementation of quasiparticle self-consistent GW for molecular systems is presented, achieving fast and stable convergence with good agreement compared to other codes. The computational efficiency of the new implementation is demonstrated by calculating the quasiparticle spectrum of a DNA oligomer with 1,220 electrons using a basis of 6,300 atomic orbitals. The study shows the dependence of quasiparticle energies of DNA oligomers on the oligomer size and the stabilizing effects of the DNA environment and aqueous environment on ionization potentials and electron affinities.
FRONTIERS IN CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
A. R. Moura
Summary: The Self-Consistent Harmonic Approximation (SCHA) is a useful method for studying magnetic models. However, most studies have only considered short-range interactions, resulting in incomplete descriptions of magnetic samples. In this work, the SCHA is generalized to include the dipolar interaction, leading to improved agreement with experimental measurements in the analysis of EuO and EuS.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Matthew C. Johnson, Eric Laderman, Erin Huiting, Chi Zhang, Alan Davidson, Joseph Bondy-Denomy
Summary: Bacteria have a wide range of anti-phage immune systems, including CRISPR-Cas and restriction enzymes. Hidden Markov Models were developed to analyze defense systems in microbial genomes and it was found that Pseudomonas aeruginosa has the highest diversity of anti-phage systems. Two core defense hotspots, cDHS1 and cDHS2, were identified and these regions are commonly found in P. aeruginosa isolates. The discovery of new anti-phage systems in these regions could simplify immune system research.
NUCLEIC ACIDS RESEARCH
(2023)
Article
Chemistry, Physical
Hong-Zhou Ye, Timothy C. Berkelbach
Summary: This paper presents a strategy for constructing high-quality Gaussian basis sets suitable for periodic calculations and examines their accuracy and numerical stability. By limiting the number of primitive functions, numerical issues can be avoided and smooth convergence can be achieved.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Materials Science, Multidisciplinary
L. D. Griffith, B. P. Alho, A. Czernuszewicz, P. O. Ribeiro, J. Slaughter, V. K. Pecharsky
Summary: Accurately modeling the thermal behaviors of materials with strong elastocaloric effects is crucial, and a physics-based approach has been used successfully. This approach provides insight into the thermal properties of elastocaloric materials and aids in rapid evaluation for efficient design of regenerative elastocaloric cooling devices.
Article
Physics, Multidisciplinary
Nei Lopes, Mucio A. Continentino, Daniel G. Barci
Article
Physics, Condensed Matter
Nei Lopes, Daniel G. Barci, Mucio A. Continentino
JOURNAL OF PHYSICS-CONDENSED MATTER
(2020)
Article
Mechanics
Damien Barbier, Pedro H. de Freitas Pimenta, Leticia F. Cugliandolo, Daniel A. Stariolo
Summary: We revisit the gradient descent dynamics of the spherical Sherrington-Kirkpatrick model with finite number of degrees of freedom, identifying three time regimes of relaxation influenced by eigenvalue distribution and initial states effects.
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT
(2021)
Article
Physics, Multidisciplinary
Paulo Murilo C. de Oliveira, Daniel A. Stariolo, Jeferson J. Arenzon
Summary: The size and shape of the affected region play a crucial role in understanding disease dynamics and organizing future actions. This study explores a modified SIR model where agents diffuse on a lattice, and disease transmission occurs between infected and susceptible agents that are nearest neighbors. The research investigates the geometric properties of the outbreak and unvisited clusters, finding a hybrid transition separating a finite outbreak cluster from one that percolates through the system. Additionally, the outbreak cluster exhibits similar behavior to the critical cluster of ordinary percolation, while clusters with unvisited sites have a size distribution with a Fisher exponent tau < 2.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2022)
Article
Optics
Alejandro Mendoza-Coto, Danay Manzo Jaime, Ariel Francis Perez Mellor, Ivan Coto Hernandez
Summary: This paper presents an analytical formulation based on a stochastic model to characterize the impact of laser fluctuations and correlation time on depletion efficiency in continuous-wave (CW) STED microscopy. The analytical results were compared with simulations, showing a high degree of agreement. This work provides a starting point for modeling laser noise effects in various microscopy implementations.
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA A-OPTICS IMAGE SCIENCE AND VISION
(2022)
Article
Materials Science, Multidisciplinary
Rui Aquino, Nei Lopes, Daniel G. Barci
Summary: In this study, we investigate non-Hermitian topological phase transitions using real-space edge states as a tool. We focus on the simplest non-Hermitian variant of the Su-Schrieffer-Heeger model and analyze the behavior of the zero-energy edge states in nontrivial topological phases. Depending on the parameters, these edge states may penetrate into the bulk, similar to Hermitian topological phase transitions. We also use the topological characterization of exceptional points to describe the intricate chiral behavior of the edge states across the entire phase diagram, and determine the criticality of the model through numerical calculations.
Article
Materials Science, Multidisciplinary
Nei Lopes, Mucio A. Continentino, Daniel G. Barci
Summary: We introduce a generalized Gross-Neveu (GN) model to study the excitonic instabilities in two different systems, and analyze their phase diagrams and thermodynamic properties.
Article
Materials Science, Multidisciplinary
A. Mendoza-Coto, R. Turcati, V. Zampronio, R. Diaz-Mendez, T. Macri, F. Cinti
Summary: We study the emergence of quasicrystal configurations in bosonic systems interacting through Lifshitz's pair potentials. Utilizing a variational mean-field approach, we determine the relevant characteristics of the potential interaction which stabilize quasicrystalline states in two dimensions. Unlike classical counterparts, the quantum picture relates to the instabilities of the excitation spectrum in a more complex way. Additionally, quantum quasicrystal patterns are found to be the ground state without thermal fluctuations. The study extends to exploring the excitation properties and the possibility of superquasicrystals, where a nonperiodic density profile coexists with a nonzero superfluid fraction. The calculations suggest that these exotic states exist at zero temperature in an intermediate region. The variational approach used in this paper is verified through comparison with full numerical simulations.
Article
Materials Science, Multidisciplinary
Rui Aquino, Daniel G. Barci
Summary: This paper investigates the phenomenon of exceptional points in Fermi liquids with high angular momentum interactions by calculating the AC conductivity and finding clear features related to the structure of the collective mode spectrum. Experimental results show clear signs of exceptional points in the narrow slab, with corresponding appearances under different coupling constants.
Article
Optics
Alejandro Mendoza-Coto, Diogo de Souza Caetano, Rogelio Diaz-Mendez
Summary: In two-dimensional bosonic systems with ultrasoft interactions, supersolid phases can appear in free space conditions. Through a variational mean-field calculation with cluster-forming interactions, detailed ground-state phase diagrams were obtained, showing coexistence regimes of crystals with different occupancy and superfluid phases. The study suggests that the solid-superfluid coexistence could be a reliable marker to locate supersolidity.
Article
Chemistry, Physical
Alejandro Mendoza-Coto, Romulo Cenci, Guido Pupillo, Rogelio Diaz-Mendez, Egor Babaev
Summary: The study presents a criterion for determining the emergence of cluster phases in a collection of classical particles with repulsive two-body interactions. By analyzing at zero temperature in the low density region, the relevant characteristics of the interaction potential that lead to the energy of a two-particle cluster-crystal becoming smaller than a simple triangular lattice are identified. The method is applied to various examples of potentials with and without cluster-forming ability, and the emergence of self-assembled cluster crystals is well captured by the presented analytic criterion.
Article
Materials Science, Multidisciplinary
Rui Aquino, Daniel G. Barci
Article
Physics, Fluids & Plasmas
Daniel A. Stariolo, Leticia F. Cugliandolo
Article
Physics, Fluids & Plasmas
Miguel Moreno, Daniel G. Barci, Zochil Gonzalez Arenas
Article
Materials Science, Multidisciplinary
Alejandro Mendoza-Coto, Danilo Emanuel Barreto de Oliveira, Lucas Nicolao, Rogelio Diaz-Mendez
