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Thermal conductivity of GeTe crystals based on machine learning potentials

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Chinese Physics B 2024年第4期33卷 104-107页

作者：张健张昊春李伟峰张刚 School of Energy Science and Engineering Harbin Institute of TechnologyHarbin 150001China Institute of High Performance Computing Agency for ScienceTechnology and ResearchSingapore 138632Singapore School of Physics&State Key Laboratory of Crystal Materials Shandong UniversityJinan 250100China

GeTe has attracted extensive research interest for thermoelectric *** this paper,we first train a neuroevolution potential(NEP)based on a dataset constructed by ab initio molecular dynamics,with the Gaussian approximation potential(GAP)as a *** phonon density of states is then calculated by two machine learning potentials and compared with density functional theory results,with the GAP potential having higher ***,the thermal conductivity of a GeTe crystal at 300 K is calculated by the equilibrium molecular dynamics method using both machine learning potentials,and both of them are in good agreement with the experimental results;however,the calculation speed when using the NEP potential is about 500 times faster than when using the GAP ***,the lattice thermal conductivity in the range of 300 K-600 K is calculated using the NEP *** lattice thermal conductivity decreases as the temperature increases due to the phonon anharmonic *** study provides a theoretical tool for the study of the thermal conductivity of GeTe.

关键词： machine learning potentials thermal conductivity molecular dynamics

Stackelberg Game for Wireless Powered and Backscattering Enabled Sensor Networks

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China Communications 2024年第3期21卷 189-204页

作者： Lyu Bin Cao Yi Wang Shuai Guo Haiyan Hao Chengyao Key Laboratory of Ministry of Education in Broadband Wireless Communication and Sensor Network technology Nanjing University of Posts and TelecommunicationsNanjing 210003China Jiangsu Engineering Research Center of Novel Optical Fiber technology and Communication Network Suzhou 215006China Guangdong-Hong Kong-Macao Joint Laboratory of Human-Machine Intelligence-Synergy Systems Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China

This paper investigates a wireless powered and backscattering enabled sensor network based on the non-linear energy harvesting model, where the power beacon(PB) delivers energy signals to wireless sensors to enable their passive backscattering and active transmission to the access point(AP). We propose an efficient time scheduling scheme for network performance enhancement, based on which each sensor can always harvest energy from the PB over the entire block except its time slots allocated for passive and active information delivery. Considering the PB and wireless sensors are from two selfish service providers, we use the Stackelberg game to model the energy interaction among them. To address the non-convexity of the leader-level problem, we propose to decompose the original problem into two subproblems and solve them iteratively in an alternating manner. Specifically, the successive convex approximation, semi-definite relaxation(SDR) and variable substitution techniques are applied to find a nearoptimal solution. To evaluate the performance loss caused by the interaction between two providers, we further investigate the social welfare maximization problem. Numerical results demonstrate that compared to the benchmark schemes, the proposed scheme can achieve up to 35.4% and 38.7% utility gain for the leader and the follower, respectively.

关键词： backscatter communication energy interaction stackelberg game wireless powered sensor network

Gliding arc discharge in combination with Cu/Cu_(2)O electrocatalysis for ammonia production

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Plasma Science and technology 2024年第7期26卷 67-73页

作者：刘学张佳伟何弈黄嘉敏马晓萍张潇漫卢曼婷辛煜 Jiangsu Key Laboratory of Thin Films School of Physical Science and TechnologySoochow UniversitySuzhou 215006People’s Republic of China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123People’s Republic of China

Highly efficient and green ammonia production is an important demand for modern *** this study,a two-step ammonia production method is developed using a gliding arc discharge in combination with Cu/Cu_(2)O *** this method,NO_(x)is provided by the gliding arc discharge and then electrolyzed by Cu/Cu_(2)O after alkaline *** electrical characteristics,the optical characteristics and the NO_(x)production are investigated in discharges at different input voltage and the gas *** dependence of ammonia production through Cu/Cu_(2)O electrocatalysis on pH value and reduction potential are determined by colorimetric *** our study,two discharge modes are *** high input voltage and low gas flow,the discharge is operated with a stable plasma channel which is called the steady arc gliding discharge mode(A-G mode).As lowering input voltage and raising gas flow,the plasma channel is destroyed and high frequency breakdown occurs instead,which is known as the breakdown gliding discharge mode(B-G mode).The optimal NO_(x)production of 7.34 mmol h^(-1)is obtained in the transition stage of the two discharge *** ammonia yield reaches0.402 mmol h^(-1)cm^(-2)at pH value of 12.7 and reduction potential of-1.0 V versus reversible hydrogen electrode(RHE).

关键词： gliding arc discharge nitrogen fixation Cu/Cu_(2)O catalyst electrocatalytic reduction of nitrite

Comprehensive Utilization and Control Measures of Iron and Steel Slag

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Frontiers of Metallurgical Industry

Frontiers of Metallurgical Industry 2024年第2期2卷 52-58页

作者： Xianzhen Wu Jin Xue College of Metallurgy and Energy North China University of Technology North China university of technology

With the increase of steel production,the amount of steel slag piled up is on the *** article analyzes the current situation of blast furnace slag utilization,elaborates on the current treatment technology of blast furnace slag,and points out that in the future,the utilization of blast furnace slag will develop towards the direction of developing high value-added products,and the sensible heat recovery rate of blast furnace slag is expected to *** the current application status and treatment process of converter *** comprehensive treat-ment technology of converter slag is limited by multiple factors,and it is proposed to control converter slag from the production source through"slag recycling".

关键词： blast furnace slag converter slag comprehensive utilization

Exploration and Application Practice of Energy Conservation Theory and Method in Steel Manufacturing Process System

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Frontiers of Metallurgical Industry

Frontiers of Metallurgical Industry 2024年第2期2卷 37-42页

作者： Jiaxiang Hao Yuanyuan Wu College of Architecture and Engineering Anhui University of Technology Liaoning university of Science and technology.

This article briefly discusses the theoretical basis and overall goals of energy conservation in the steel manufacturing process *** is proposed that in the process of implementing system energy conservation,it is necessary to fully recognize and utilize the characteristics and functional advantages of the steel manufacturing process,pay more attention to energy quality,firmly grasp the overall goal of system optimization,focus on the integrated optimization of gas,steam,and waste heat systems,and propose the idea of constructing a"steel chemi-cal gas electricity heating cooling multi generation system".Based on practice,the main principles,models,and effects of implementing systematic energy conservation in steel enterprises have been proposed.

关键词： steel manufacturing process system energy-saving system optimization energy conservation and emis-sion reduction waste heat and energy generation polygeneration

Fluidization and Transport of Vibrated Granular Matter:A Review of Landmark and Recent Contributions

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Fluid Dynamics & Materials Processing 2024年第1期20卷 1-29页

作者： Peter Watson Sebastien Vincent Bonnieu Marcello Lappa Department of Mechanical and Aerospace Engineering University of StrathclydeGlasgowUK European Space Agency European Space Research and Technology CentreNoordwijkNetherland

We present a short retrospective review of the existing literature about the dynamics of(dry)granular matter under the effect of *** main objective is the development of an integrated resource where vital information about past findings and recent discoveries is provided in a single *** attention is paid to those works where successful synthetic routes to as-yet unknown phenomena were *** landmark results are analyzed,while smoothly blending them with a history of the field and introducing possible categorizations of the prevalent *** no classification is perfect,and it is hard to distillate general properties out of specific observations or realizations,two possible ways to interpret the existing results are defined according to the type of forcing or the emerging(ensuing)regime of *** particular,first results concerning the case where vibrations and gravity are concurrent(vertical shaking)are examined,then the companion situation with vibrations perpendicular to gravity(horizontal shaking)is *** classes are introduced as follows:(1)Regimes where sand self-organizes leading to highly regular geometrical“pulsating”patterns(thin layer case);(2)Regimes where the material undergoes“fluidization”and develops an internal multicellular convective state(tick layers case);(3)Regimes where the free interface separating the sand from the overlying gas changes inclination or develops a kind a patterned configuration consisting of stable valleys and mountains or travelling waves;(4)Regimes where segregation is produced,i.e.,particles of a given size tend to be separated from the other grains(deep containers).Where possible,an analogy or parallelism is drawn with respect to the companion field of fluid-dynamics for which the assumption of“continuum”can be applied.

关键词： Granular materials vibrations fluidization flowability symmetry breaking

Experimental Investigation on Solution Regeneration Performance and Coefficients in Full-Open System for Heat and Water Recovery of Flue Gas

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Journal of Thermal Science 2024年第3期33卷 1094-1108页

作者： WEI Hongyang HUANG Shifang MA Yuxin CHEN Bo SUN Li ZHANG Xiaosong School of Energy and Environment Southeast UniversityNanjing210096China MOE Engineering Research Center for Building Energy Equipment&Environment Southeast UniversityNanjing210096China Jiangsu Frontier Electric technology Co. LtdNanjing211106China

The recovery of heat and water from low-grade flue gas is of considerable importance for energy conservation and environmental *** the full-open absorption heat pump shows promise as a means of achieving heat and water recovery,the lack of research on heat and mass transfer performance of open-type solution evaporation regeneration represents a significant impediment to its design and *** paper experimentally investigates the regeneration performance of an open-type spaying tower equipped with ceramic structured *** different regeneration modes are proposed,namely ambient air receiver mode and flue gas receiver mode,to utilize air or low-grade flue gas as a driving *** impact of different input parameters on the regeneration characteristics,including heat transfer capacity,water removal rate,thermal efficiency,and humidity effectiveness,are *** findings indicate that the enhancement of regeneration can be achieved through the increase of solution flow rate,solution temperature,and flue gas flow rate in both regeneration ***,high solution concentration and flue gas humidity ratio can weaken water removal rates and reduce thermal *** the regeneration of CaCl_(2)-H_(2)O with a concentration of55%,flue gas around 200℃with a humidity ratio below 44 g/kg can successfully drive the solution regeneration *** the solution concentration or flue gas humidity ratio continues to rise,additional energy is necessary for ***,the coupled heat and mass transfer coefficients are fitted,which can contribute to the design and optimization of the open-type regenerator.

关键词： heat and water recovery solution regeneration flue gas regeneration performance coefficient

Physics-Informed Neural Networks with Two Weighted Loss Function Methods for Interactions of Two-Dimensional Oceanic Internal Solitary Waves

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Journal of Systems Science & Complexity 2024年第2期37卷 545-566页

作者： SUN Junchao CHEN Yong TANG Xiaoyan School of Mathematical Sciences Key Laboratory of Mathematics and Engineering Applications(Ministry of Education)&Shanghai Key Laboratory of PMMPEast China Normal UniversityShanghai 200241China College of Mathematics and Systems Science Shandong University of Science and TechnologyQingdao 266590China

The multiple patterns of internal solitary wave interactions(ISWI)are a complex oceanic *** remote sensing techniques indirectly detect these ISWI,but do not provide information on their detailed structure and ***,the authors considered a three-layer fluid with shear flow and developed a(2+1)Kadomtsev-Petviashvili(KP)model that is capable of describing five types of oceanic ISWI,including O-type,P-type,TO-type,TP-type,and *** learning models,particularly physics-informed neural networks(PINN),are widely used in the field of fluids and internal solitary ***,the authors find that the amplitude of internal solitary waves is much smaller than the wavelength and the ISWI occur at relatively large spatial scales,and these characteristics lead to an imbalance in the loss function of the PINN *** solve this problem,the authors introduce two weighted loss function methods,the fixed weighing and the adaptive weighting methods,to improve the PINN *** successfully simulated the detailed structure and dynamics of ISWI,with simulation results corresponding to the satellite *** particular,the adaptive weighting method can automatically update the weights of different terms in the loss function and outperforms the fixed weighting method in terms of generalization ability.

关键词： Internal solitary wave interactions KP equation PINN method weighted loss function method

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Wireless electrical stimulation generated by piezoelectric nanomaterial promotes the dental pulp regeneration via regulating mitochondrial Ca^(2+)/PKA signaling pathway

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Journal of Materials Science & technology 2024年第1期168卷 24-34页

作者： Jianmao Zheng Jiyuan Zuo Cairong Xiao Qining Guo Xiaobin Fu Chengyun Ning Peng Yu Guangdong Provincial Key Laboratory of Stomatology Hospital of StomatologySun Yat-Sen UniversityGuangzhou 510080China School of Materials Science and Engineering National Engineering Research Center for Tissue Restoration and ReconstructionSouth China University of TechnologyGuangzhou 510641China

The induction of dental pulp stem cells(DPSCs)into odontogenic differentiation is a cutting-edge method of dental pulp regeneration ***,it remains a challenge to develop biomaterials and ther-apies that can induce odontogenic ***,we propose a wireless electrical stimulation strat-egy to induce DPSCs odontogenic differentiation via K_(0.5)Na_(0.5)NbO_(3)piezoelectric nanoparticles(KNN)and polarized KNN(PKNN),which can be endocytosed by *** vitro,several odontogenic differentiation indexes were also increased in DPSCs treated with KNN and PKNN,and the increase was more obvious in the PKNN *** wireless electrical field promoted mitochondrial calcium concentration via mitochondrial calcium unidirectional transporter(MCU),increased the production of adenosine triphos-phate(ATP),and induced odontogenic differentiation through the activation of the cAMP-PKA signaling *** vivo,dental pulp-like tissue was induced by electrical stimulation wirelessly with KNN and PKNN,which was more clinically friendly compared with the wired device,and the induction was more obvious in the PKNN group consistent with in vitro *** conclusion,this work demonstrates the potential of PKNN as an effective stimulus that can induce odontogenic differentiation of DPSCs and be applied to dental pulp regeneration treatment.

关键词： Piezoelectric nanoparticles Dental pulp stem cells Odontogenic differentiation