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Electronic Structure Computations and Optical Spectroscopy Studies of ScNiBi and YNiBi Compounds
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作者 Yury V.Knyazev Semyon T.Baidak +1 位作者 Yury I.Kuz’min Alexey V.Lukoyanov 《Computers, Materials & Continua》 2025年第6期4085-4095,共11页
Thework presents the electronic structure computations and optical spectroscopy studies of half-Heusler ScNiBi and YNiBi compounds.Our first-principles computations of the electronic structures were based on density f... Thework presents the electronic structure computations and optical spectroscopy studies of half-Heusler ScNiBi and YNiBi compounds.Our first-principles computations of the electronic structures were based on density functional theory accounting for spin-orbit coupling.These compounds are computed to be semiconductors.The calculated gap values make ScNiBi and YNiBi valid for thermoelectric and optoelectronic applications and as selective filters.In ScNiBi and YNiBi,an intense peak at the energy of−2 eV is composed of theNi 3d states in the conduction band,and the valence band mostly contains these states with some contributions from the Bi 6p and Sc 3d or Y 4d electronic states.These states participate in the formation of the indirect gap of 0.16 eV(ScNiBi)and 0.18 eV(YNiBi).Within the spectral ellipsometry technique in the interval 0.22–15μm of wavelength,the optical functions of materials are studied,and their dispersion features are revealed.A good matching of the experimental and modeled optical conductivity spectra allowed us to analyze orbital contributions.The abnormally low optical absorption observed in the low-energy region of the spectrum is referred to as the results of band calculations indicating a small density of electronic states near the Fermi energy of these complex materials. 展开更多
关键词 computational physics first-principles calculations electronic structure band gap excited states optical properties semiconductors complex materials optoelectronic applications
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Eccentric Computational Embodiments: Cognitive Domestication of External Entities
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作者 Lorenzo Magnani 《学术界》 CSSCI 北大核心 2020年第1期185-197,共13页
The emphasis on the simplification of cognitive and motor tasks by recent results of morphological computation has rendered possible the construction of appropriate“mimetic bodies”able to render accompanied computat... The emphasis on the simplification of cognitive and motor tasks by recent results of morphological computation has rendered possible the construction of appropriate“mimetic bodies”able to render accompanied computations simpler,according to a general appeal to the“simplexity”of animal embodied cognition.A new activity of what we can call“distributed computation”holds the promise of originating a new generation of robots with better adaptability and restricted number of required control parameters.The framework of distributed computation helps us see them in a more naturalized and prudent perspective,avoiding ontological or metaphysical considerations.Despite these progresses,there are still problems regarding the epistemological limitations of computational modeling remain to be solved. 展开更多
关键词 morphological computation physical computation mimeticbodies computational substrates pancomputationalism simplexity
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Efficient and Robust Design for Absorbing Boundary Conditions in Atomistic Computations 被引量:1
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作者 方明 唐少强 《Chinese Physics Letters》 SCIE CAS CSCD 2009年第11期148-151,共4页
We propose an efficient and robust way to design absorbing boundary conditions in atomistic computations. An optimal discrete boundary condition is obtained by minimizing a functional of a reflection coefficient integ... We propose an efficient and robust way to design absorbing boundary conditions in atomistic computations. An optimal discrete boundary condition is obtained by minimizing a functional of a reflection coefficient integral over a range of wave numbers. The minimization is performed with respect to a set of wave numbers, at which transparent absorption is reached. Compared with the optimization with respect to the boundary condition coefficients suggested by E and Huang [Phys. Rev. Lett. 87 (2001) 133501], we reduce considerably the number of independent variables and the computing cost. We further demonstrate with numerical examples that both the optimization and the wave absorption are more robust in the proposed design. 展开更多
关键词 computational physics
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All physical reservoir computing system with tunable temporal dynamics for multi-timescale information processing
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作者 Wanxin Huang Yiru Wang +9 位作者 Jianyu Ming Shanshuo Liu Jing Liu Jingwei Fu Haotian Wang Wen Li Yannan Xie Linghai Xie Haifeng Ling Wei Huang 《InfoMat》 2025年第6期126-137,共12页
Physical reservoir computing(PRC)offers an effective computing paradigm for spatiotemporal information processing with low training costs.Achieving controllable regulation over the temporal dynamics of devices to meet... Physical reservoir computing(PRC)offers an effective computing paradigm for spatiotemporal information processing with low training costs.Achieving controllable regulation over the temporal dynamics of devices to meet the computational demands of each physical layer is a key challenge for realizing highperformance PRC chips.Here,we proposed a homogeneously integrated all-PRC with tunable temporal dynamics.Utilizing the modulation effect of oxygen vacancies on the energy barrier of the pentacene/ZnO interface,shortterm memory,and long-term memory switching characteristics have been achieved within the same device structure.Furthermore,by altering the gate voltage,the reservoir exhibited a broad range ratio of temporal characteristics(>10^(2)),which provides the potential to map information with different temporal characteristics.Inspired by the process of encoding and reconstructing spatiotemporal information in the human visual system,a biomimetic obstacle recognition system has been constructed to assist visually impaired individuals in walking,demonstrating excellent accuracy in obstacle types(100%)and distances(97.2%)recognition.This work offers a promising avenue for the development of an integrated PRC system with multi-timescale information processing capability. 展开更多
关键词 homogeneous integration OFET oxygen vacancies physical reservoir computing temporal dynamics
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Monte Carlo Hamiltonian:Linear Potentials 被引量:5
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作者 LUOXiang-Qian HelmutKROEGER 《Communications in Theoretical Physics》 SCIE CAS CSCD 2002年第5期561-565,共5页
We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method, in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. We cons... We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method, in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. We consider two quantum mechanical models: a symmetric one ; and an asymmetric one , for and , for . The results for the spectrum, wave functions and thermodynamical observables are in agreement with the analytical or Runge–Kutta calculations. 展开更多
关键词 Monte Carlo method quantum mechanics computational physics
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Monte Carlo Hamiltonian: Inverse Potential 被引量:4
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作者 LUOXiang-Qian CHENGXiao-Ni HelmutKROeGER 《Communications in Theoretical Physics》 SCIE CAS CSCD 2004年第4期509-512,共4页
The Monte Carlo Hamiltonian method developed recently allows to investigate the ground state and low-lying excited states of a quantum system,using Monte Carlo(MC)algorithm with importance sampling.However,conventiona... The Monte Carlo Hamiltonian method developed recently allows to investigate the ground state and low-lying excited states of a quantum system,using Monte Carlo(MC)algorithm with importance sampling.However,conventional MC algorithm has some difficulties when applied to inverse potentials.We propose to use effective potential and extrapolation method to solve the problem.We present examples from the hydrogen system. 展开更多
关键词 Monte Carlo method quantum mechanics computational physics
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New Discrete Element Models for Three-Dimensional Impact Problems 被引量:5
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作者 单立 成名 +2 位作者 刘凯欣 刘维甫 陈仕洋 《Chinese Physics Letters》 SCIE CAS CSCD 2009年第12期5-8,共4页
Two 3-D numerical models of the discrete element method (DEM) for impact problems are proposed. The models can calculate not only the impact problems of continuum and non-continuum, but also the transient process fr... Two 3-D numerical models of the discrete element method (DEM) for impact problems are proposed. The models can calculate not only the impact problems of continuum and non-continuum, but also the transient process from continuum to non-continuum. The stress wave propagation in a concrete block and a dynamic splitting process of a marble disc under impact loading are numerically simulated with the proposed models. By comparing the numerical results with the corresponding results obtained by the finite element method (FEM) and the experiments, it is proved that the models are reliable for three-dimensional impact problems. 展开更多
关键词 computational physics Condensed matter: structural mechanical & thermal
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Simulation of Light Intensification Induced by Defects of Polished Fused Silica 被引量:3
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作者 WANG Feng-Rui LIU Hong-Jie +5 位作者 HUANG Jin ZHOU Xin-Da JIANG Xiao-Dong WU Wei-Dong ZHENG Wan-Guo JU Xin 《Chinese Physics Letters》 SCIE CAS CSCD 2011年第1期109-111,共3页
Light intensity distribution in the vicinity of inclusions and etched cracks in polished fused silica at wavelength scale are simulated by using the finite-difference time-domain algorithm. Light intensity enhancement... Light intensity distribution in the vicinity of inclusions and etched cracks in polished fused silica at wavelength scale are simulated by using the finite-difference time-domain algorithm. Light intensity enhancement factor as functions of diameter and refractive index of inclusions are investigated, more than 10 times that of incident beam is obtained in the simulation. We model the etched crack in close proximity to a real structure, which is characterized by AFM. We find that the peak light intensity of the crack is a function of its cross sectional breadth depth ratio, providing good hints for the effective processing of fused silica samples to improve the damage threshold. 展开更多
关键词 computational physics Condensed matter: electrical magnetic and optical Condensed matter: structural mechanical & thermal
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Preparation of Arbitrary Four-Qubit W State with Atomic Ensembles via Rydberg Blockade 被引量:2
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作者 韩阳 吴春旺 +3 位作者 高明 梁林梅 陈平形 李承祖 《Chinese Physics Letters》 SCIE CAS CSCD 2010年第4期33-36,共4页
The generation of various entangled states is an essential task in quantum information processing. Recently, a scheme (PRA 79, 022304) has been suggested for generating Greenberger-Horne-Zeilinger state and cluster ... The generation of various entangled states is an essential task in quantum information processing. Recently, a scheme (PRA 79, 022304) has been suggested for generating Greenberger-Horne-Zeilinger state and cluster state with atomic ensembles based on the Rydberg blockade. Using similar resources as the earlier scheme, here we propose an experimentally feasible scheme of preparing arbitrary four-qubit W class of maximally and non- maximally entangled states with atomic ensembles in a single step. Moreover, we carefully analyze the realistic noises and predict that four-qubit W states can be produced with high fidelity (F - 0.994) via our scheme. 展开更多
关键词 Atomic and molecular physics computational physics Optics quantum optics and lasers Quantum information and quantum mechanics
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Six-State Quantum Key Distribution Using Photons with Orbital Angular Momentum 被引量:3
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作者 李俊林 王川 《Chinese Physics Letters》 SCIE CAS CSCD 2010年第11期16-19,共4页
A new implementation of high-dimensional quantum key distribution (QKD) protocol is discussed. Using three mutual unbiased bases, we present a d?level six-state QKD protocol that exploits the orbital angular moment... A new implementation of high-dimensional quantum key distribution (QKD) protocol is discussed. Using three mutual unbiased bases, we present a d?level six-state QKD protocol that exploits the orbital angular momentum with the spatial mode of the light beam. The protocol shows that the feature of a high capacity since keys are encoded using photon modes in d-level Hilbert space. The devices for state preparation and measurement are also discussed. This protocol has high security and the alignment of shared reference frames is not needed between sender and receiver. 展开更多
关键词 computational physics Optics quantum optics and lasers Quantum information and quantum mechanics
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Transformation Operator and Criterion for Perfectly Teleporting Arbitrary Three-Qubit State with Six-Qubit Channel and Bell-State Measurement 被引量:6
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作者 张子云 刘益民 +2 位作者 左学勤 章文 张战军 《Chinese Physics Letters》 SCIE CAS CSCD 2009年第12期20-23,共4页
Using the method presented recently [Phys.Rev.A 77(2008)014306; Phys.Lett.A 369(2007)377], the transformation operator (TO) is explicitly given for teleporting an arbitrary three-qubit state with a six-qubit cha... Using the method presented recently [Phys.Rev.A 77(2008)014306; Phys.Lett.A 369(2007)377], the transformation operator (TO) is explicitly given for teleporting an arbitrary three-qubit state with a six-qubit channel and Bell-state measurements. A criterion on whether such quantum teleportation can be perfectly realized is educed in terms of TO. Moreover, six instantiations on TO and criterion are concisely shown. 展开更多
关键词 computational physics Quantum information and quantum mechanics
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Control of Fractal Erosion of Safe Basins in a Holmes-Duffing System via Delayed Position Feedback 被引量:2
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作者 SHANG Hui-Lin 《Chinese Physics Letters》 SCIE CAS CSCD 2011年第1期36-38,共3页
A linear delayed position feedback control is applied to control the erosion of safe basins in a Holmes-Duffing system. The conditions of fractal erosion of the safe basin of the controlled system on the basis that th... A linear delayed position feedback control is applied to control the erosion of safe basins in a Holmes-Duffing system. The conditions of fractal erosion of the safe basin of the controlled system on the basis that the range of time delay leading to good control is obtained by the Melnikov method. It is found that the increasing time delay can reduce the basin erosion under a weak and positive feedback g^in. Then the evolutions of safe basins with time delay are presented in detail by the fourth Runge-Kutta and Monte-Carlo methods, which shows that the safe basin of the controlled Holmes Dulling system can be expanded, and its fractal can be reduced by the increasing time delay. These results suggest that delayed position feedbacks can be used as a good approach to control the erosion of safe basins. 展开更多
关键词 computational physics Statistical physics and nonlinear systems
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An Adaptive Fast Multipole Higher Order Boundary Element Method for Power Frequency Electric Field of Substation 被引量:2
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作者 张占龙 邓军 +2 位作者 肖冬萍 何为 唐炬 《Chinese Physics Letters》 SCIE CAS CSCD 2010年第3期144-147,共4页
An adaptive fast multipole higher order boundary element method combining fast multipole (FM) with a higher order boundary element method is studied to solve the power frequency electric field (PFEF) of substation... An adaptive fast multipole higher order boundary element method combining fast multipole (FM) with a higher order boundary element method is studied to solve the power frequency electric field (PFEF) of substations. In this new technique, the iterative equation solver GMRES is used in the FM, where matrix-vector multiplications are calculated using fast multipole expansions. The coefficients in the preconditioner for GMRES are stored and are used repeatedly in the direct evaluations of the near-field contributions. Then a 500kV outdoor substation is modeled and the PFEF of the substation is analyzed by the novel algorithm and other conventional methods. The results show that, in computational cost and the storages capability aspects, the algorithm proposed in this study has obvious advantages. It is suitable for the calculation of the large-scale PFEF in complex substations and the design of electromagnetic compatibility. 展开更多
关键词 computational physics Accelerators beams and electromagnetism Instrumentation and measurement
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Implementing a Multi-Qubit Quantum Phase Gate Encoded by Photonic Qubit 被引量:1
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作者 陆培民 宋杰 夏岩 《Chinese Physics Letters》 SCIE CAS CSCD 2010年第3期17-20,共4页
A protocol is proposed to implement a three-qubit phase gate for photonic qubits in a three-mode cavity. The idea can be extended to directly implement a N-qubit phase gate. We also show that the interaction time rema... A protocol is proposed to implement a three-qubit phase gate for photonic qubits in a three-mode cavity. The idea can be extended to directly implement a N-qubit phase gate. We also show that the interaction time remains unchanged with the increasing number of qubits. In addition, the influence of cavity decay and atomic spontaneous emission on the gate fidelity and photon loss probability is also discussed by numerical calculation. 展开更多
关键词 Atomic and molecular physics computational physics Optics quantum optics and lasers Quantum information and quantum mechanics
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The Time Division Multi-Channel Communication Model and the Correlative Protocol Based on Quantum Time Division Multi-Channel Communication 被引量:1
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作者 刘晓慧 裴昌幸 聂敏 《Chinese Physics Letters》 SCIE CAS CSCD 2010年第12期15-18,共4页
Based on the classical time division multi-channel communication theory, we present a scheme of quantum time- division multi-channel communication (QTDMC). Moreover, the model of quantum time division switch (QTDS... Based on the classical time division multi-channel communication theory, we present a scheme of quantum time- division multi-channel communication (QTDMC). Moreover, the model of quantum time division switch (QTDS) and correlative protocol of QTDMC are proposed. The quantum bit error rate (QBER) is analyzed and the QBER simulation test is performed. The scheme shows that the QTDS can carry out multi-user communication through quantum channel, the QBER can also reach the reliability requirement of communication, and the protocol of QTDMC has high practicability and transplantable. The scheme of QTDS may play an important role in the establishment of quantum communication in a large scale in the future. 展开更多
关键词 computational physics Electronics and devices Quantum information and quantum mechanics
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A Simple Birefringent Terahertz Waveguide Based on Polymer Elliptical Tube 被引量:1
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作者 WANG Jing-Li YAO Jian-Quan +1 位作者 CHEN He-Ming LI Zhong-Yang 《Chinese Physics Letters》 SCIE CAS CSCD 2011年第1期112-114,共3页
We propose a simple birefringent terahertz (THz) waveguide which is a polymer elliptical tube with a cross section of elliptical ring structure. It can be achieved by stretching a normal circular-tube in one directi... We propose a simple birefringent terahertz (THz) waveguide which is a polymer elliptical tube with a cross section of elliptical ring structure. It can be achieved by stretching a normal circular-tube in one direction. Simulations based on the full-vector finite element method (FEM) show that this kind of waveguides exhibits high birefringenee on a level of 10- 2 over a wide THz frequency range. Moreover, as a majority of modal power is trapped in the air core inside the polymer elliptical tube, the THz waveguide guiding loss caused by material absorption can be reduced effectively. 展开更多
关键词 computational physics Electronics and devices
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Evolutionary Prisoner's Dilemma Game Based on Division of Work 被引量:2
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作者 李志华 汪秉宏 +1 位作者 刘润然 杨涵新 《Chinese Physics Letters》 SCIE CAS CSCD 2009年第10期212-215,共4页
We propose a new two-type-player prisoner's dilemma game based on the division of work on a square lattice, in which a fraction of the population μ are assigned type A and the rest B. In a one-shot two-player game, ... We propose a new two-type-player prisoner's dilemma game based on the division of work on a square lattice, in which a fraction of the population μ are assigned type A and the rest B. In a one-shot two-player game, we let both of their original payoffs be scaled by a same multiplicative factor α 〉 1, if two neighboring players are of different types; however we leave the payoffs unchanged if they are of the same type. Then we show that combined with the two-type setup, the square lattice can assist to induce different social ranks according to players' abilities to collect payoffs. Simulation results show that the density of cooperation is significantly promoted for a wide range of the temptation to defection parameters and that there are optimal values for both α and μ leading to the maximal cooperation level. We reach these results by analyzing the distribution of the players in the social ranks and we also show some typical snapshots of the system. 展开更多
关键词 computational physics Environmental and Earth science
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Stochastic Resonance in a Time-Delayed Mono-Stable System with Multiplicative and Additive Noise 被引量:2
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作者 郭锋 黄志奇 +2 位作者 范勇 李少甫 张宇 《Chinese Physics Letters》 SCIE CAS CSCD 2009年第10期53-56,共4页
The stochastic resonance (SR) in a time-delayed mono-stable system driven by multiplicative white noise, additive white noise, additive dichotomous noise as well as a periodic square-wave signal is considered from t... The stochastic resonance (SR) in a time-delayed mono-stable system driven by multiplicative white noise, additive white noise, additive dichotomous noise as well as a periodic square-wave signal is considered from the view of the signal-to-noise ratio (SNR). It is found that the SNR increases monotonically with the increase of the delay time. The SNR exhibits the SR behavior when it is plotted as a function of intensities of the noises, displaying the asymmetry of the dichotomous noise. The SNR varies non-monotonically with the increase of the system parameter and the amplitude of the input square-wave signal. 展开更多
关键词 computational physics Statistical physics and nonlinear systems
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Entropic Stochastic Resonance Driven by Colored Noise 被引量:2
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作者 赵亮 罗晓琴 +2 位作者 吴丹 朱士群 顾济华 《Chinese Physics Letters》 SCIE CAS CSCD 2010年第4期59-62,共4页
The phenomenon of entropic stochastic resonance (ESR) in a two-dimensional confined system driven by a transverse periodic force is investigated when the colored fluctuation is included in the system. Applying the m... The phenomenon of entropic stochastic resonance (ESR) in a two-dimensional confined system driven by a transverse periodic force is investigated when the colored fluctuation is included in the system. Applying the method of unified colored noise approximation, the approximate Fokker-Planck equation can be derived in the absence of the periodic force. Through the escaping rate of the Brownian particle from one well to the other, the power spectral amplification can be obtained. It is found that increasing the values of the noise correlation time and the signal frequency can suppress the ESR of the system. 展开更多
关键词 computational physics Statistical physics and nonlinear systems
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