Article
Chemistry, Multidisciplinary
Rui-bo Ma, Li-li Zhou, Yong-chao Liang, Ze-an Tian, Yun-fei Mo, Qian Chen, Rang-su Liu, Ting-hong Gao, Quan Xie
Summary: The study investigates the microstructural evolution and plastic deformation under tension by simulating the rapid solidification processes of Ni47Co53 alloy and conducting uniaxial tension simulation on single crystal, polycrystal, and metallic glass. It reveals that dislocation loops evolution in crystals is caused by slips and proliferation of stacking faults, while plastic deformation in metallic glass is mainly carried by grain boundaries and stacking faults. Ultimately, stacking faults are found to be most resistant to plastic deformation.
Article
Chemistry, Multidisciplinary
Augie Atqa, Masataka Yoshida, Masanori Wakizaka, Wang-Jae Chun, Akira Oda, Takane Imaoka, Kimihisa Yamamoto
Summary: We propose a partially-oxidised bimetallic Mo-Pt subnanoparticle (Mo4Pt8Ox) that facilitates thermally-driven CO2 hydrogenation to CO at room temperature and atmospheric pressure. A mechanistic study elucidated the entire catalytic cycle of the reaction, from CO2 activation to catalyst reactivation. DFT calculations showed that alloying with Mo decreases the activation barrier by weakening CO adsorption, presenting a potential pathway for low-energy CO2 conversion.
CHEMICAL COMMUNICATIONS
(2023)
Article
Construction & Building Technology
Liang Li, Arosha Dabarera, Vinh Dao
Summary: Assessing the risk of cracking in high performance concrete is important. This study investigates the zero-stress temperature (T-z) and cracking temperature (T-x) through theoretical analysis and experiments, proposing practical models that consider the visco-elastic behavior of concrete. The reliability and predictive capability of the models are demonstrated through comparisons between predicted and measured results. Practical thermal control criteria for preventing concrete cracking are put forward based on the predicted T-z and T-x profiles.
MATERIALS AND STRUCTURES
(2022)
Article
Physics, Particles & Fields
O. A. Mattos, T. Frederico, O. Lourenco
Summary: The extended model (PNJL0) exhibits a first order confined/deconfined quark phase transition at T=0, with the vector channel playing a significant role. Sensitivity of the parametrization allows for setting a window for the bulk values of the relevant parameters.
EUROPEAN PHYSICAL JOURNAL C
(2021)
Article
Physics, Multidisciplinary
Lianrong Zhou, Xiaoqing Hu, Yigeng Peng, Junjie Qiang, Peifen Lu, Kang Lin, Shengzhe Pan, Xiaochun Gong, Wenyu Jiang, Zhejun Jiang, Chenxu Lu, Hongcheng Ni, Cheng Jin, Ruifeng Lu, Yong Wu, Jianguo Wang, Jian Wu
Summary: We investigated the multiphoton ionization of H2 in superfluid He nanodroplets driven by femtosecond laser pulses and found that the presence of He atoms enhances the dissociation of in-droplet HH2 from lower vibrational states. Consequently, the peaks in the photoelectron energy spectrum shift to higher energies. Our simulation confirms the joint contribution of the laser field and the neighboring He atoms to the dissociation dynamics. These findings improve our understanding of the influence of the environment on light-induced ultrafast dynamics of molecules.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Alexandria J. Hoeher, Sebastian T. Mergelsberg, Olaf J. Borkiewicz, F. Marc Michel
Summary: Understanding the chemical and structural properties of amorphous calcium phosphate (ACP) is crucial for gaining insights into biomineralization mechanisms. The influence of the initial Ca/P ratio on the structure and transformation of ACP is significant, with structural variations directly linked to system chemistry. A promising method to control the crystallization pathway to form hydroxylapatite at circumneutral pH without stabilizing ions is the synthesis of ACP with monodentate Ca-P geometries.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Yi-Qi Tian, Yun-Shu Cui, Jia-Hui Zhu, Cong-Qiao Xu, Xiao-Yi Yi, Jun Li, Chao Liu
Summary: This paper reports a novel titanium-based coordination cage assembled from titanium nodes and oriented ligands. The cage exhibits tunable properties and demonstrates strong photocatalytic H-2 evolution activity.
CHEMICAL COMMUNICATIONS
(2022)
Article
Astronomy & Astrophysics
Marco Ce, Tim Harris, Ardit Krasniqi, Harvey B. Meyer, Csaba Toeroek
Summary: We investigate various aspects of chiral symmetry in QCD at T = 128 MeV using a 24 x 963 lattice-QCD ensemble with O(a)-improved Wilson quarks and physical up, down, and strange quark masses. The pion quasiparticle is found to be significantly lighter than the zero-temperature pion mass, despite having a shorter static correlation length. Our findings are quantitatively compared to predictions of chiral perturbation theory. Among several order parameters for chiral symmetry restoration, we compute the reduction of the difference between the vector- and axial-vector time-dependent correlators, which is found to be about two-thirds compared to its vacuum counterpart.
Article
Engineering, Geological
Hengxing Wang, Linchang Miao, Xiaohao Sun, Linyu Wu, Guangcai Fan, Jizhou Zhang
Summary: In this study, N-(n-butyl)-thiophosphoric triamide (NBPT) was used to address the issue of enzyme induced carbonate precipitation (EICP) solidification at high temperatures. The effects of NBPT concentration and temperature on sand column solidification efficiency were studied, and it was found that NBPT addition improved the homogeneous distribution of calcium carbonate and increased the strength of the solidified sands.
Article
Materials Science, Ceramics
Wei-Wei Qin, Xue-Feng Hu, Jin-Le Fan, Yan-Song Liu, Li-Ping Tan, Ming Zhou, Chuan-Qiang Wu, Bin-Hui Ge, Shou-Jing Gao, Jingui Qian, Wei Zhang
Summary: This study reports an environmentally friendly and effective method for synthesizing gas-sensing materials of Fe clusters supported on Ti3C2Tx MXene using one-step pulsed laser ablation in liquid. Sensors based on these materials were developed for real-time detection of ammonia at room temperature, with an improved response of 64.03% even at high humidity. The excellent sensing properties were attributed to the abundance of defective sites and the catalysis of Fe clusters supported on Ti3C2Tx nanosheets. This work provides an effective methodology for improving the performance of gas sensors based on 2D materials by confining non-noble metal clusters.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Abdulhakim Bake, Md Rezoanur Rahman, Peter J. Evans, Michael Cortie, Mitchell Nancarrow, Radu Abrudan, Florin Radu, Yury Khaydukov, Grace Causer, Sara Callori, Karen L. Livesey, David Mitchell, Zeljko Pastuovic, Xiaolin Wang, David Cortie
Summary: The study utilized ion beam synthesis to produce oxidation-resistant cobalt nanoparticles embedded within substoichiometric titanium oxide thin films. The nanoparticles showed high magnetization and superparamagnetic response, indicating metallic nature. Various techniques were used to study the magnetic properties of the metallic cobalt particles.
APPLIED SURFACE SCIENCE
(2021)
Article
Astronomy & Astrophysics
Brian McPeak
Summary: This paper investigates the connection between the higher-derivative corrections to the black hole entropy and the black hole extremality bound. It is found that at zero temperature or the extremal mass, the entropy shift is unrelated to the mass shift, is proportional to the EFT coefficients, and can be negative in certain EFT examples.
Article
Physics, Applied
P. S. Vergeles, E. B. Yakimov, A. Y. Polyakov, I. V. Shchemerov, A. V. Chernykh, A. A. Vasilev, A. I. Kochkova, In-Hwan Lee, Stephen J. Pearton
Summary: This study investigates the luminescent and recombination properties of V-pit defects in p-GaN(Mg) grown by MOCVD, as well as their impact on the leakage current of Schottky diodes. The results also suggest the formation of parasitic p-n junctions in the region of V-pits. Additionally, the increase in a 3.2eV defect band contribution in V-pits compared to the 3eV blue CL band is observed.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Hermann Schnait, Daniel Bauernfeind, Tanusri Saha-Dasgupta, Markus Aichhorn
Summary: In this study, the magnetic properties of spin-orbit coupled double perovskite iridate Ba2YIrO6 were investigated using ab initio density functional and dynamical mean-field theory. The results showed the presence of a small nonzero magnetic moment in Ba2YIrO6, but no evidence of magnetic ordering was observed.
Article
Construction & Building Technology
Xiaodong Ma, Tingshu He, Yongqi Da, Yike Lin, Yun Feng, Wentao Zhang
Summary: This study evaluated the performance changes and the ability to solidify heavy metals of cement prepared with incineration fly ash after high-temperature treatment. The results showed that incineration fly ash weakened the performance of cement, but it still effectively solidified residual heavy metals.
JOURNAL OF BUILDING ENGINEERING
(2023)
Article
Physics, Multidisciplinary
V Cikojevic, L. Vranjes Markic, J. Boronat
NEW JOURNAL OF PHYSICS
(2020)
Article
Physics, Multidisciplinary
G. Guijarro, G. E. Astrakharchik, J. Boronat
Summary: This study demonstrates the formation of ultradilute quantum liquids with ultracold bosonic dipolar atoms in a bilayer geometry. The proposed system uses dipolar interactions alone to create a self-bound state without the need for an additional short-range potential. Quantum Monte Carlo simulations reveal a diverse ground-state phase diagram with quantum phase transitions between liquid, solid, atomic gas, and molecular gas phases. The stabilization mechanism of the liquid phase involves an effective balance between dimer-dimer attraction and three-dimer repulsion, with the equilibrium density controlled by the interlayer distance.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Multidisciplinary
Gerard Pascual, Jordi Boronat
Summary: The Bose polaron system shows different behavior and properties at different temperatures, with a loss of quasiparticle nature close to the critical temperature. Additionally, the impurity hinders the condensation of bosons in the condensate.
PHYSICAL REVIEW LETTERS
(2021)
Article
Physics, Condensed Matter
Sergi Pradas, Jordi Boronat
Summary: The miscibility of two dipolar quantum gases at zero temperature was studied using the diffusion Monte Carlo method. The results show that the mixing between the two species is constrained by the relative dipolar moments and masses.
Article
Education, Scientific Disciplines
Jordi Pera, Jordi Boronat
Summary: The s-wave and p-wave scattering lengths and the s-wave effective range are the most important parameters in the study of low-energy scattering. By solving the scattering problem and deriving two useful formulas, we are able to calculate these parameters for any angular momentum, as long as the Wigner threshold law holds. We also analyze the behavior of the scattering parameters near Feshbach resonances and provide practical activities for learning scattering theory.
AMERICAN JOURNAL OF PHYSICS
(2023)
Article
Physics, Multidisciplinary
Giulia De Rosi, Riccardo Rota, Grigori E. Astrakharchik, Jordi Boronat
Summary: In this study, the effect of thermal fluctuations on correlations in a one-dimensional Bose gas with repulsive interactions is comprehensively investigated. The pair correlation function, static structure factor, and one-body density matrix are calculated using the exact ab-initio Path Integral Monte Carlo method for various interaction strengths and temperatures. A detailed comparison with different theoretical models is provided. The Monte Carlo results agree excellently with the tractable limits and serve as an important benchmark for future experiments in different platforms.
NEW JOURNAL OF PHYSICS
(2023)
Article
Multidisciplinary Sciences
Cong Liu, Ion Errea, Chi Ding, Chris Pickard, Lewis J. J. Conway, Bartomeu Monserrat, Yue-Wen Fang, Qing Lu, Jian Sun, Jordi Boronat, Claudio Cazorla
Summary: It is predicted that solid helium becomes a metal at high pressures and transitions into an excitonic insulator and a superconductor. The study reveals that helium becomes an excitonic insulator before metallization and a superconductor after metallization. These phenomena could be crucial for improving our understanding and modeling of celestial bodies.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
M. C. Gordillo, J. Boronat
Summary: The phase diagram of the second layer of para-H-2 adsorbed on graphite was calculated using quantum Monte Carlo methods. The study revealed that this nearly two-dimensional crystal exhibits a finite superfluid density at a certain total density, which can be experimentally observed.
Article
Physics, Multidisciplinary
V Cikojevic, L. Vranjes Markic, M. Pi, M. Barranco, F. Ancilotto, J. Boronat
Summary: This study investigates the dynamical equilibration and binary head-on collisions of quantum droplets made of a K-39 - K-39 Bose mixture using time-dependent density-functional theory. Important effects of initial population ratio deviation from the optimal mean-field value are extensively explored. The study shows sensitivity to an initial nonoptimal concentration and proposes a two-component approach for addressing situations with three-body losses mainly acting on one of the mixture's components.
PHYSICAL REVIEW RESEARCH
(2021)
Article
Optics
V Cikojevic, E. Poli, F. Ancilotto, L. Vranjes Markic, J. Boronat
Summary: The study focuses on a quantum liquid in a heterogeneous mixture of K-41 and Rb-87 atoms, using diffusion Monte Carlo and density-functional theory to investigate its properties and characteristics. It verifies the perturbative Lee-Huang-Yang term for a heterogeneous mixture and presents extensions to Lee-Huang-Yang corrected mean-field energy functionals based on bulk mixture equations of state calculated with diffusion Monte Carlo. Systematic comparison between different functionals is carried out using density-functional theory, with a focus on critical atom number, surface tension, surface width, Tolman length, and compressibility within the stability domain of the liquid mixture.
Article
Optics
Raul Bombin, Viktor Cikojevic, Juan Sanchez-Baena, Jordi Boronat
Summary: This study focuses on the repulsive Fermi polaron in a two-component, two-dimensional system of fermionic atoms, investigating properties such as polaron energy, quasiparticle residue, and effective mass using the diffusion Monte Carlo method. The results highlight the importance of considering the effective range and scattering length to reproduce experimental results, as well as the establishment of universality through different model potentials for the interaction between the Fermi sea and the impurity. This underscores the significance of quantum fluctuations and beyond mean-field effects in accurately describing the Fermi polaron problem.
Article
Materials Science, Multidisciplinary
Yu E. Lozovik, I. L. Kurbakov, G. E. Astrakharchik, J. Boronat
Summary: The proposed method provides an accurate estimation of the condensate fraction in strongly correlated systems under various conditions, with experimental measurements confirming its effectiveness.
Article
Optics
Omar Abel Rodriguez-Lopez, M. A. Solis, J. Boronat
Summary: We study the structural superfluid-Mott-insulator quantum phase transition of an interacting one-dimensional Bose gas within multirod lattices, and use the ab initio diffusion Monte Carlo method to calculate relevant parameters. We find that varying the width of barriers from zero to the length of the potential period can induce the SF-MI phase transition.
Article
Optics
K. Dzelalija, V Cikojevic, J. Boronat, L. Vranjes Markic
Editorial Material
Optics
Raul Bombin, Ferran Mazzanti, Jordi Boronat
