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arXiv 2019年

作者： Xua, Gang Ling, Ran Zhang, Yongjie Jessica Xiao, Zhoufang Ji, Zhongping Rabczuk, Timon School of Computer Science and Technology Hangzhou Dianzi University Hangzhou310018 China Key Laboratory of Complex Systems Modeling and Simulation Ministry of Education Hangzhou310018 China Department of Mechanical Engineering Carnegie Mellon University United States Institute of Structural Mechanics Bauhaus-Universitat Weimar Germany

In this paper, we propose an improved singularity structure simplification method for hexahedral (hex) meshes using a weighted ranking approach. In previous work, the selection of to-be-collapsed base complex sheets/chords is only based on their thickness, which will introduce a few closed-loops and cause an early termination of simplification and a slow convergence rate. In this paper, a new weighted ranking function is proposed by combining the valence prediction function of local singularity structure, shape quality metric of elements and the width of base complex sheets/chords together. Adaptive refinement and local optimization are also introduced to improve the uniformity and aspect ratio of mesh elements. Compared to thickness ranking methods, our weighted ranking approach can yield a simpler singularity structure with fewer base-complex components, while achieving comparable Hausdorff distance ratio and better mesh quality. Comparisons on a hex-mesh dataset are performed to demonstrate the effectiveness of the proposed method. Copyright © 2019, The Authors. All rights reserved.

关键词： Aspect ratio

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A novel class of energy-preserving Runge-Kutta methods for the Korteweg-de Vries equation

arXiv

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arXiv 2021年

作者： Chen, Yue Gong, Yuezheng Hong, Qi Wang, Chunwu Department of Mathematics Nanjing University of Aeronautics and Astronautics Nanjing211106 China MIIT Nanjing211106 China Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing210023 China

In this paper, we present a quadratic auxiliary variable approach to develop a new class of energy-preserving Runge-Kutta methods for the Korteweg-de Vries equation. The quadratic auxiliary variable approach is first proposed to reformulate the original model into an equivalent system, which transforms the energy conservation law of the Korteweg-de Vries equation into two quadratic invariants of the reformulated system. Then the symplectic Runge-Kutta methods are directly employed for the reformulated model to arrive at a new kind of time semi-discrete schemes for the original problem. Under the consistent initial condition, the proposed methods are rigorously proved to maintain the original energy conservation law of the Korteweg-de Vries equation. In addition, the Fourier pseudo-spectral method is used for spatial discretization, resulting in fully discrete energy-preserving schemes. To implement the proposed methods effectively, we present a very efficient iterative technique, which not only greatly saves the calculation cost, but also achieves the purpose of practically preserving structure. Ample numerical results are addressed to confirm the expected order of accuracy, conservative property and efficiency of the proposed algorithms. Copyright © 2021, The Authors. All rights reserved.

关键词： Runge Kutta methods

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Investigation of Allopurinol binding mechanism to allele HLA-A∗33:03 by using Molecular Dynamics simulation 46

Investigation of Allopurinol binding mechanism to allele HLA...

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46th Vietnam Conference on Theoretical Physics, VCTP 2021

作者： Pham, Oanh P. Lai, Hien T.T. Tran, Duong B. Le, Linh T. P. Nguyen, Anh Thi Van Nguyen, Hang Thi Thu Nguyen, Toan T. Key Laboratory for Multiscale Simulation of Complex Systems VNU University of Science Vietnam National University 334 Nguyen Trai Street Thanh Xuan Dist Hanoi120000 Viet Nam Key Laboratory of Enzyme and Protein Technology VNU University of Science Vietnam National University 334 Nguyen Trai Street Thanh Xuan Dist Hanoi120000 Viet Nam Department of Theoretical Physics VNU University of Science 334 Nguyen Trai Street Thanh Xuan Dist Hanoi120000 Viet Nam

Allopurinol (ALP), a xanthine oxidase inhibitor, is an FDA-approved urate-lowering medication used to treat Gout, prevent tumor lysis syndrome, and prevent recurrent calcium nephrolithiasis in hyperuricosuria patients. However, it has been known as a common cause of severe cutaneous adverse drug reactions (SCAR) including Stevens-Johnson syndrome (SJS) and toxic epidermal necrolysis (TEN), hypersensitivity syndrome/drug reaction with eosinophilia and systemic symptoms (HSS/DRESS), especially in patients carrying the Human Leukocyte Antigens allele HLA-B∗58:01, which is more prevalent in Asian population. However, although patients do not carry the HLA-B∗58:01 allele, they still exhibit allopurinol-induced SCAR. Surprisingly, a large number of these patients have the HLA-A∗33:03 allele. In this research, we investigated the binding of ALP to the HLA-A∗33:03 structure using Molecular Dynamics (MD) simulation. Our results showed that the complex of HLA-A∗33:03 and ALP was stable after 100000 ps simulation time. ALP had strong interactions with three important residues locating in the active site of HLA-A∗33:03, which include the seven amino acid residues Val 76, Asp 77, Leu 81, Ile 95, Gln 96, Asp 116, and Tyr 123. This data suggests that ALP has strong binding affinity for this allele. Thus, in addition to HLA-B∗58:01, HLA-A∗33:03 may be a potential screening marker before prescribing Allopurinol for Gout treatment. © Published under licence by IOP Publishing Ltd.

关键词： Genes

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Exploring dynamical phase transitions in the XY chain through a linear quench: Early and long-term perspectives

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Physical Review A 2024年第4期110卷 042209页

作者： Kaiyuan Cao Hongsheng Hou Peiqing Tong School of Physics Hangzhou Normal University Hangzhou 311121 China Department of Physics Institute of Theoretical Physics Nanjing Normal University Nanjing 210023 China Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing Normal University Nanjing 210023 China

We investigate the nonequilibrium dynamics induced by a finite-time linear quench in the XY chain. Initially, we examine the dynamical quantum phase transition (DQPT-LE), characterized by the nonanalytic behavior of the Loschmidt amplitude. We find distinct behaviors of DQPT-LEs during and following the ramp. Following the ramp, the ramp crossing the critical point hc is the sufficient condition for the occurrence of DQPT-LE, but it is not during the ramp. Through adiabatic-impulse-adiabatic (AIA) approximation analysis, we establish that adequate distancing from the critical point is crucial for DQPT-LE manifestation during the ramp, elucidating the absence of DQPT-LE as the ramp gets faster. Additionally, we explore another type of dynamical phase transition (DQPT-OP), describing the long-term relaxation behavior of the order parameter. Our finding indicates that the asymptotic behavior of the time-dependent part induced by the linear quench is equivalent to that following a sudden quench, i.e., the time-dependent part exhibits power-law decays of ∼t−3/2 and ∼t−1/2 for the ramp to the commensurate and incommensurate phases, respectively. Moreover, we also delve into the steady part, which showcases nonanalytic singularities at the critical point.

关键词： Dynamical phase transitions Nonequilibrium statistical mechanics XY model

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Investigating the excited ω 0 c states through c K and c K decay channels

arXiv

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arXiv 2017年

作者： Huang, Hongxia Ping, Jialun Wang, Fan Dept. of Physics and Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing Normal University Nanjing210023 China Department of Physics Nanjing University Nanjing210093 China

Inspired by the five newly observed ω 0 c states by the LHCb detector, we study the ω 0 c states as the Swave molecular pentaquarks with I = 0, JP = 1 2 , 3 2 , and 5 2 by solving the RGM equation in the framework of chiral quark model. Both the energies and the decay widths are obtained in this work. Our results suggest that c(3119)0 can be explained as an Swave resonance state of D with JP = 1 2 , and the decay channels are the Swave cK and cK . Other reported ω 0 c states cannot be obtained in our present calculation. Another ω 0 c state with much higher mass 3533 MeV with JP = 5 2 is also obtained. In addition, the calculation is extended to the 0 b states, similar results as that of ω 0 c are obtained. Copyright © 2017, The Authors. All rights reserved.

关键词： Hadrons

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Exploring the effects of phase modulation on the dynamics of the kicked rotor systems

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Physical Review E 2022年第1期105卷 014212-014212页

作者： Mengyao Li Yingying Xiao Yongchun Tao Yi Gao Peiqing Tong Center for Quantum Transport and Thermal Energy Science Jiangsu Key Lab on Opto-Electronic Technology School of Physics and Technology Nanjing Normal University Nanjing 210023 China School of Physics and Technology Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing Normal University Nanjing 210023 China

Inspired by the recent experimental progress in the time-driven phase transition in quantum chaos, we investigate comprehensively the energy diffusion of a kicked rotor in the presence of phase modulation. In the classical case, we found that there always exists anomalous diffusion as long as the phase is modulated periodically and changes by 0 or π from kick to kick. On the contrary, for quasiperiodic and random phase modulation, anomalous diffusion is suppressed. On the other hand, in the quantum case, there exist only ballistic energy diffusion and dynamical localization in the standard and periodically shifted cases, while random phase modulation destroys the quantum coherence and totally suppresses the dynamical localization. Furthermore, the quasiperiodic phase modulation is an intermediate phase between the standard case and the random one. In both the classical and quantum cases, quasiperiodic phase modulation is inequivalent to random phase modulation at large kicking times (>103), thus caution has to be taken when dealing with these two kinds of phase modulation in experiments.

关键词： Cold atoms & matter waves 1-dimensional systems

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Pc-like pentaquarks in a hidden strange sector

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Physical Review D 2018年第9期97卷 094019-094019页

作者： Hongxia Huang Xinmei Zhu Jialun Ping Department of Physics and Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing Normal University Nanjing 210023 People’s Republic of China Department of Physics Yangzhou University Yangzhou 225009 People’s Republic of China

Analogous to the work of hidden charm molecular pentaquarks, we study possible hidden strange molecular pentaquarks composed of Σ (or Σ*) and K (or K*) in the framework of a quark delocalization color screening model. Our results suggest that the ΣK, ΣK*, and Σ*K* with IJP=1212− and ΣK*, Σ*K, and Σ*K* with IJP=1232− are all resonance states by coupling the open channels. The molecular pentaquark Σ*K with quantum numbers IJP=1232− can be seen as a strange partner of the LHCb Pc(4380) state. The possibility of identifying the resonances as nucleon resonances is proposed.

关键词： Hadron-hadron interactions Quark model

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Reanalysis of the most strange dibaryon within constituent quark models

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Physical Review C 2020年第3期101卷 034004-034004页

作者： Hongxia Huang Xinmei Zhu Jialun Ping Department of Physics and Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing Normal University Nanjing 210023 People's Republic of China Department of Physics Yangzhou University Yangzhou 225009 People's Republic of China

The most strange dibaryon ΩΩ with quantum numbers S=−6, I=0, and JP=0+,1−,2+,3− is reanalyzed in the framework of a quark delocalization color screening model (QDCSM) and chiral quark model (ChQM). The ΩΩ dibaryon with JP=0+ is bound, and the one with other quantum numbers JP=1−,2+,3− are all unbound in our calculation. The low-energy scattering phase shifts, the scattering length, and the effective range of the ΩΩ dibaryon with JP=0+ also support the existence of such strange dibaryon. This dibaryon is showed to be a shallow bound state in QDCSM, while the binding energy becomes much larger in the ChQM by including the effect of the hidden color channels coupling. And the scalar nonet meson exchange in the ChQM also provides more attraction for the ΩΩ system. Experimental search for such most strange dibaryon will provide much information for understanding the hadron-hadron interactions in different quark models.

关键词： Nucleon-nucleon interactions Quark model

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Search for doubly heavy dibaryons in the quark delocalization color screening model

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Physical Review C 2022年第2期105卷 025201-025201页

作者： Zhuocheng Xia Saijun Fan Xinmei Zhu Hongxia Huang Jialun Ping Department of Physics and Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing Normal University Nanjing 210023 People's Republic of China Department of Physics Yangzhou University Yangzhou 225009 People's Republic of China

We perform a systemical investigation of the low-lying doubly heavy dibaryon systems with strange S=0, isospin I=0, 1, 2, and the angular momentum J=0, 1, 2, 3 in the quark delocalization color screening model. We find the effect of channel-coupling cannot be neglected in the study of the multi-quark systems. Several bound systems are obtained. They are the doubly charm dibaryon systems with IJ=00, IJ=01, and IJ=02, and the corresponding energies are 4590, 4720, and 4764 MeV, respectively; and the doubly bottom dibaryon systems with IJ=00, IJ=02, and IJ=13, and the corresponding energies are 11219, 11416, and 11633 MeV, respectively. Besides, six resonance states are obtained, which are IJ=00NΞcc and NΞbb with resonance masses of 4730 and 11411 MeV respectively, IJ=11NΞcc* and NΞbb* with resonance masses of 4775 and 11432 MeV respectively, and IJ=12ΣcΣc* and ΣbΣb* with resonance masses of 4935 and 11626 MeV respectively. All these heavy dibaryons are worth searching for in experiments, although it will be a challenging work.

关键词： Cluster models Particle interactions Quark model Heavy baryons

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Structure of pentaquarks Pc+ in the chiral quark model

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Physical Review D 2017年第1期95卷 014010-014010页

作者： Gang Yang Jialun Ping Fan Wang Department of Physics and Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems Nanjing Normal University Nanjing 210023 People’s Republic of China Department of Physics Nanjing University Nanjing 210093 People’s Republic of China

The recent experimental results of the LHCb Collaboration suggested the existence of pentaquark states with a charmonium. To understand the structure of the states, a dynamical calculation of 5-quark systems with quantum numbers IJP=12(12)±, 12(32)± and 12(52)± is performed in the framework of the chiral quark model with the help of the Gaussian expansion method. The results show that there are several negative parity resonance states while all of the positive parity states are the scattering states. The Pc(4380) state is suggested to be the pentaquark state of Σc*D¯. Although the energy of ΣcD¯* is very close to the mass of Pc(4450), the inconsistent parity prevents the assignment. The calculated distances between quarks confirm the molecular nature of the states.

关键词： Hadron-hadron interactions Quark model Exotic baryons

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