Article
Chemistry, Physical
Eduardo Basurto, Peter Gurin, Szabolcs Varga, Gerardo Odriozola
Summary: The study examined the close-packed structure and ordering properties of hard ellipses between two parallel hard walls, revealing two competing densest packings of ellipses. The results highlight that the densest packing does not depend on the aspect ratio of the ellipse, and the global phase diagram shows universal behavior.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
R. Melnyk, Y. Kalyuzhnyi, G. Kahl, A. Baumketner
Summary: In this study, the effects of molecule shape and interaction range on the critical behavior of a model fluid system are investigated. It is found that increasing molecule asphericity decreases the critical temperature, while the critical density depends on both the range of attraction and the asphericity of the molecule.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Houfei Yuan, Zhen Zhang, Walter Kob, Yujie Wang
Summary: Using computed x-ray tomography, the study reveals the three-dimensional structure of binary hard sphere mixtures, showcasing a surprisingly regular order on intermediate and large length scales. The symmetry of this structure is found to depend on the size ratio of the particles q, and an efficient packing of particles is associated with a locally maximally disordered structure.
PHYSICAL REVIEW LETTERS
(2021)
Article
Physics, Multidisciplinary
A. Sherman
Summary: In this study, the extended Hubbard model on a two-dimensional square lattice at half-filling is investigated using the strong coupling diagram technique. The first-order phase transition in the charge subsystem is found to occur at v = v(c) greater than or similar to U/4. The transition is characterized by an abrupt sign change in the zero-frequency charge susceptibility at the corner of the Brillouin zone. The alternating deviations of electron occupations from the mean value on neighboring sites have short-range order due to fluctuations.
Article
Chemistry, Physical
Andraz Gnidovec, Anze Bozic, Simon Copar
Summary: Packing problems are common in nature and have been extensively studied through experiments and numerical models. This study focuses on the packing of ellipsoidal particles on a curved surface and finds that closed curved surfaces can introduce disorder, which is crucial for studying monodispersed random packings.
Article
Physics, Multidisciplinary
H. Huang, S-J Lee, Y. Ikeda, T. Taniguchi, M. Takahama, C-C Kao, M. Fujita, J-S Lee
Summary: The presence of a small concentration of in-plane Fe dopants in La1.87Sr0.13Cu0.99Fe0.01O4 is known to enhance stripelike spin and charge density wave (SDW and CDW) order, suppress the superconducting T-c, and induce highly two-dimensional superconducting correlations, which are argued to be signatures of a new form of superconducting order, the pair density wave (PDW) order. This two-dimensional superconducting fluctuation is strongly associated with the CDW stripe, and the PDW signature appears when the correlation length of the CDW stripe grows over eight times the lattice unit.
PHYSICAL REVIEW LETTERS
(2021)
Article
Physics, Fluids & Plasmas
Philipp Marienhagen, Robert Hellmann, Joachim Wagner
Summary: The study provides third to eighth virial coefficients of oblate, hard ellipsoids of revolution and hard lenses depending on their aspect ratio v, using an optimized algorithm for hard anisotropic shapes to obtain highly accurate data with relatively small numerical effort. For both geometries, reduced virial coefficients are proportional to the inverse excess contribution of their excluded volume, which can be directly accessed from second virial coefficients and is analytically known for convex bodies.
Article
Physics, Fluids & Plasmas
N. C. Priyanka, Atul Kumar Verma
Summary: Inspired by vehicular traffic phenomena, this study investigates a three-lane open totally asymmetric simple exclusion process with both-sided lane switching accompanied by Langmuir kinetics. Phase diagrams, density profiles, and phase transitions are calculated using mean-field theory and successfully validated with Monte Carlo simulation results. The topology of the phase diagrams is found to depend crucially on the coupling strength, which represents the ratio of lane-switching rates. The proposed model exhibits unique mixed phases, including a double shock resulting in bulk-induced phase transitions. The interplay between both-sided coupling, third lane, and Langmuir kinetics leads to unusual features, including a reentrance transition in two directions for nominal values of coupling strength. The presence of reentrance transition and peculiar phase boundaries results in a rare type of phase division where one phase lies entirely within another region. Moreover, the dynamics of shocks and finite-size effects are examined through the analysis of four different types of shocks.
Article
Chemistry, Multidisciplinary
Yiling Yu, Guoqing Li, Yan Xu, Chong Hu, Xiaoze Liu, Linyou Cao
Summary: Quantum liquids, such as Bose-Einstein condensates and superconductors, have been a vibrant area of research in modern physics and engineering. However, these quantum liquids are typically only stable at very low temperatures, which limits their practical applications. In this study, we demonstrate the existence of a stable electron-hole liquid at temperatures as high as 700 K in monolayer MoS2. We also develop a thermodynamic model and an exciton phase diagram to understand the gas-liquid transition in this high-temperature electron-hole liquid.
Article
Physics, Multidisciplinary
Yu D. Fomin
Summary: The phase diagram of a two-dimensional system with purely repulsive monotonic potential was studied using molecular dynamics method. Ordered phases such as dimers, oblique crystal, and Kagome phase were observed, and the stability regions of all ordered phases were calculated. The melting scenarios of triangular and square crystals in the system were identified.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2021)
Article
Physics, Multidisciplinary
A. N. Doludenko, S. V. Fortova, I. V. Kolokolov, V. V. Lebedev
Summary: This study examines the state of a two-dimensional fluid in a finite box resulting from an inverse cascade supported by a permanent pumping through analytical and numerical approaches. Two different states are identified: one dominated by coherent vortices with a well-defined profile, and the other dominated by chaotic large-scale fluctuations. The realized state depends on the ratio vk2f/alpha, where v is the viscosity coefficient, kf is the wave vector of the pumping force, and alpha is the bottom friction coefficient.
Article
Multidisciplinary Sciences
Caorong Zhang, Junwei Huang, Kun Zhai, Keivan Akhtari, Zhiwei Shen, Lingyi Ao, Zeya Li, Feng Qin, Yukai Chang, Ling Zhou, Ming Tang, Xueting Dai, Caiyu Qiu, Yi Zhang, Lin Wang, Zhongyuan Liu, Yongjun Tian, Mohammad Saeed Bahramy, Hongtao Yuan
Summary: Researchers have observed an insulator-to-superconductor transition driven by valence fluctuation in the van der Waals insulator GeP. The transition is caused by valence skipping of the Ge cation, transforming GeP from a layered compound to a three-dimensional covalent system and resulting in a maximum superconducting critical temperature of 10 K.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Jeetendra Kumar Tiwari, Birendra Kumar, Harish Chandr Chauhan, Subhasis Ghosh
Summary: The bi-layer manganite La1.37Sr1.63Mn2O7, hosting bi-skyrmions, exhibits second-order magnetic phase transition with critical exponents satisfying Widom and Rushbrooke scaling relations. The critical exponents are consistent with 2D-Ising universality class, indicating the crucial role of anisotropy in the layered structure of bi-layer La1.37Sr1.63Mn2O7. Additionally, a possible magnetic phase diagram for the bi-skyrmion host bi-layer La1.37Sr1.63Mn2O7 has been proposed.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Physics, Fluids & Plasmas
E. N. Tsiok, Yu D. Fomin, E. A. Gaiduk, V. N. Ryzhov
Summary: Random pinning has been found to profoundly alter the phase diagram and melting scenarios of a two-dimensional system with the Hertz potential by generating different phases transitions. The transitions between different crystal phases involve both continuous and first-order processes.
Review
Nanoscience & Nanotechnology
Tianchen Qin, Zegao Wang, Yuqing Wang, Flemming Besenbacher, Michal Otyepka, Mingdong Dong
Summary: Transition metal carbides (TMCs), as a new member in the two-dimensional materials family, show great potential for applications in transparent electrodes, flexible electronics, broadband photodetectors, and battery electrodes due to their excellent properties. However, the controllable synthesis of TMCs remains a challenge, hindering their device applications. This review systematically summarizes the latest research on TMCs' structure, properties, synthesis, and applicability, while also outlining current challenges and future perspectives for their application.
NANO-MICRO LETTERS
(2021)
Article
Chemistry, Physical
E. Meneses-Juarez, M. J. Hernandez-Gayosso, P. Orea, G. Odriozola
JOURNAL OF MOLECULAR LIQUIDS
(2018)
Article
Physics, Multidisciplinary
G. Torres-Garcia, D. P. Luis, G. Odriozola, J. Lopez-Lemus
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2018)
Article
Chemistry, Physical
Eduardo Basurto, Peter Gurin, Szabolcs Varga, Gerardo Odriozola
Summary: The study examined the close-packed structure and ordering properties of hard ellipses between two parallel hard walls, revealing two competing densest packings of ellipses. The results highlight that the densest packing does not depend on the aspect ratio of the ellipse, and the global phase diagram shows universal behavior.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Physics, Multidisciplinary
Peter Gurin, Gerardo Odriozola, Szabolcs Varga
Summary: The effect of out-of-plane positional freedom on the stability of two-dimensional nematic order of hard non-spherical particles was examined using the second virial density-functional theory. It was found that more particles are needed for the formation of 2D nematics with increasing H when the particles are hard ellipsoids, while the opposite tendency is observed in the case of hard cylinders. This paradox can be explained by projecting the three-dimensional system into a 2D mixture of particles with position-dependent aspect ratios and molecular areas.
NEW JOURNAL OF PHYSICS
(2021)
Article
Physics, Condensed Matter
Miguel Gomez de Santiago, Peter Gurin, Szabolcs Varga, Gerardo Odriozola
Summary: This research provides theoretical basis for the extended principle of corresponding states and demonstrates its application to short-range pair potentials with anisotropy. By simulations and theoretical calculations, it is found that the binodals of oblate hard ellipsoids collapse into a single curve in the Delta B-2*-rho(r) plane for a given aspect ratio. This finding is independent of the local structure of the fluid.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Physical
Alvaro Ramos Peralta, Gerardo Odriozola
Summary: We have developed an all-atom pairwise additive model for hydrogen peroxide using an optimization procedure based on artificial neural networks (ANNs). The model includes a dihedral potential and is parametrized by training simple ANNs to minimize differences between various properties and experimental values. We obtained good agreement with experimental data for a range of properties.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
H. A. Perez-Ramirez, A. Moncho-Jorda, G. Odriozola
Summary: Using molecular dynamic simulations and experimental calculations, the free energy transfer and diffusion properties of phenol, methane, and 5-fluorouracil in water-pNIPAM mixtures with different polymer volume fractions were studied. The results showed that phenol and 5-FU attached to the polymer surface and exhibited negative values of free energy transfer at different temperatures, while methane showed a change in free energy transfer sign above and below the critical solution temperature. The free energy transfer and diffusion coefficient both exhibited a linear relationship with polymer concentration.
Article
Chemistry, Physical
Barbara Di Credico, Gerardo Odriozola, Simone Mascotto, Andreas Meyer, Laura Tripaldi, Arturo Moncho-Jorda
Summary: The significant improvements in polymer composites properties have been attributed to the ability of filler nanoparticles to self-assemble into anisotropic structures. In this study, the self-assembly behavior and mechanism of core-shell nanoparticles in solution was investigated. It was found that core-shell nanoparticles with a polymer shell can self-assemble into chain-like structures.
Article
Physics, Multidisciplinary
Eduardo Basurto, Peter Gurin, Szabolcs Varga, Gerardo Odriozola
PHYSICAL REVIEW RESEARCH
(2020)
Article
Physics, Fluids & Plasmas
Peter Gurin, Szabolcs Varga, Gerardo Odriozola
Article
Chemistry, Multidisciplinary
Arturo Moncho-Jorda, Ana B. Jodar-Reyes, Matej Kanduc, Alicia German-Bellod, Juan M. Lopez-Romero, Rafael Contreras-Caceres, Francisco Sarabia, Miguel Garcia-Castro, Hector A. Perez-Ramirez, Gerardo Odriozola
Article
Chemistry, Physical
H. A. Perez-Ramirez, G. Odriozola
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Materials Science, Multidisciplinary
H. A. Perez-Ramirez, C. Haro-Perez, G. Odriozola
ACS APPLIED POLYMER MATERIALS
(2019)
Article
Chemistry, Physical
H. A. Perez-Ramirez, C. Haro-Perez, E. Vazquez-Contreras, J. Klapp, G. Bautista-Carbajal, G. Odriozola
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Eduardo Basurto, Catalina Haro-Perez, Carlos A. Vargas, Gerardo Odriozola
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2018)