期刊文献+
共找到85,674篇文章
< 1 2 250 >
每页显示 20 50 100
Study on the adsorptive denitrification performance of MIL-101(Cr) and its theoretical calculation
1
作者 QIN Yue TANG Ke +3 位作者 HONG Xin WANG Han SHEN Shuo CHEN Jinghui 《燃料化学学报(中英文)》 北大核心 2026年第2期180-192,共13页
The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorp... The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorption temperature,adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated.The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL,the optimal removal efficiency for aniline was achieved at 30℃ within 30 min,whereas higher temperatures and longer times(40℃and 40 min)were required for effective removal of pyridine and quinoline.Density Functional Theory(DFT)calculations were conducted via Materials Studio(MS)software to study the adsorptive denitrification mechanism of MIL-101(Cr)toward these three basic nitrogen-containing compounds.The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr)primarily involved coordination adsorption.In contrast,the interaction between aniline or quinoline and MIL-101(Cr)proceeded mainly through coordination,with additional contributions fromπ-complexation and hydrogen bonding.The overall adsorption strength order is pyridine>aniline>quinoline.During the adsorption process,pyridine and quinoline transfer electrons to the MIL-101(Cr)surface through the H→C→N→Cr^(3+)pathway,while aniline transfers electrons to the MIL-101(Cr)surface through various pathways,including N→Cr^(3+),N→C→Cr^(3+)and N→H→O.Furthermore,adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models.The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline.Finally,the adsorbent was regenerated using ethanol washing.It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles. 展开更多
关键词 MIL-101(Cr) adsorptive denitrification competitive adsorption regeneration performance simulation calculation
在线阅读 下载PDF
Multiscale Theoretical Calculations Empower Robust Electric Double Layer Toward Highly Reversible Zinc Anode
2
作者 Yufan Xia Zhen Luo +6 位作者 Shuang Chen Yang Xiang Gao Weng Hongge Pan Ben Bin Xu Mi Yan Yinzhu Jiang 《Nano-Micro Letters》 2026年第3期406-427,共22页
The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter per... The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter persistent dendrite growth and parasitic reactions,driven by the inhomogeneous charge distribution and water-dominated environment within the EDL.Compounding this,classical EDL theory,rooted in meanfield approximations,further fails to resolve molecular-scale interfacial dynamics under battery-operating conditions,limiting mechanistic insights.Herein,we established a multiscale theoretical calculation framework from single molecular characteristics to interfacial ion distribution,revealing the EDL’s structure and interactions between different ions and molecules,which helps us understand the parasitic processes in depth.Simulations demonstrate that water dipole and sulfate ion adsorption at the inner Helmholtz plane drives severe hydrogen evolution and by-product formation.Guided by these insights,we engineered a“water-poor and anion-expelled”EDL using 4,1’,6’-trichlorogalactosucrose(TGS)as an electrolyte additive.As a result,Zn||Zn symmetric cells with TGS exhibited stable cycling for over 4700 h under a current density of 1 mA cm^(−2),while NaV_(3)O_(8)·1.5H_(2)O-based full cells kept 90.4%of the initial specific capacity after 800 cycles at 5 A g^(−1).This work highlights the power of multiscale theoretical frameworks to unravel EDL complexities and guide high-performance ARZB design through integrated theory-experiment approaches. 展开更多
关键词 Zn anode Theoretical calculations Electric double layers Aqueous rechargeable zinc batteries
在线阅读 下载PDF
Thermodynamic performance calculation and test verification of gas-liquid two-phase water ramjet engine
3
作者 Pingan LIU Dianlong SUN +4 位作者 Xile QIAN Shang LIU Tao WANG Jingtao CHENG Kejing XU 《Chinese Journal of Aeronautics》 2026年第1期1-17,共17页
Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can sig... Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can significantly enhance propulsion efficiency and holds substantial potential for broad applications.However,forming a gas-liquid two-phase flow within the nozzle requires introducing a large amount of rammed seawater.At this time,there is a complex phase transition problem of combustion products in the combustion chamber,which makes the thermodynamic calculation for gas-liquid two-phase water ramjet engines particularly challenging.This paper proposes a thermodynamic calculation method for gas-liquid two-phase water ramjet engines,based on the energy equation for gas-liquid two-phase flow and traditional thermodynamic principles,enabling thermodynamic calculations under conditions of ultra-high water-fuel ratios.Additionally,ground ignition tests of the gas-liquid two-phase engine were conducted,yielding critical engine test parameters.The results demonstrate that the gas-liquid two-phase water ramjet engine achieves a high specific impulse,with a theoretical maximum specific impulse of up to 7000(N s)/kg.The multiphase flow effects significantly impact engine performance,with specific impulse losses reaching up to 25.86%.The error between the thrust and specific impulse in the ground test and the theoretical values is within 10%,validating the proposed thermodynamic calculation method as a reliable reference for further research on gas-liquid two-phase water ramjet engines. 展开更多
关键词 Gas-liquid two-phase flow Ignition test Multiphase flow Thermal calculation Water ramjet engine
原文传递
APPLICATION OF WYATT-WHITE METHOD TO CALCULATING INTRINSIC RATES OF INCREASE FOR HYMENOPTEROUS PARASITOIDS
4
作者 况荣平 Sandy M.Smith 《Zoological Research》 CAS CSCD 1993年第3期208-214,共7页
The method developed by Wyatt and White (1977) was applied to calculate the intrinsic rates of increase for parasitoids based on 23 fecundity data sets from the literature. The studies showed that there existed the li... The method developed by Wyatt and White (1977) was applied to calculate the intrinsic rates of increase for parasitoids based on 23 fecundity data sets from the literature. The studies showed that there existed the linear relationship between the accurate values of rm and In f (Md) / d or In (A/d/2) / d, that is, 1) rm= 0.845 In (Md) / d or 2) rm= 0.880 In (Md/ 2) / d. Where d is the prereproductive time, Md is the number of female offspring produced per original female from the first to the dthday of reproduction, and Md/2 is the number of female offspring produced per original female from the first to the (d/ 2) th day of reproduction. These equations can provide the accurate estimates of rm for parasitoids in this study. The approach is advantageous because it does not require the construction of detailed fecundity tables for estimating parasitoid rates of increase. Of course, whether these equations are appropriate for the other taxa will need to be further studied. 展开更多
关键词 PARASITOID Intrinsic rate of increase calculation
在线阅读 下载PDF
Calculating Method for Influence of Material Flow on Energy Consumption in Steel Manufacturing Process 被引量:8
5
作者 YU Qing-bo LU Zhong-wu CAI Jiu-ju 《Journal of Iron and Steel Research International》 SCIE EI CAS CSCD 2007年第2期46-51,共6页
From the viewpoint of systems energy conservation, the influences of material flow on its energy consumption in a steel manufacturing process is an important subject. The quantitative analysis of the relationship betw... From the viewpoint of systems energy conservation, the influences of material flow on its energy consumption in a steel manufacturing process is an important subject. The quantitative analysis of the relationship between material flow and the energy intensity is useful to save energy in steel industry. Based on the concept of standard material flow diagram, all possible situations of ferric material flow in steel manufacturing process are analyzed. The expressions of the influence of material flow deviated from standard material flow diagram on energy consumption are put forward. 展开更多
关键词 steel manufacturing process material flow energy consumption calculating method
在线阅读 下载PDF
NEW METHODS FOR CALCULATING ACTIVITIES OF COMPONENTS FROM PHASE DIAGRAMS IN BINARY PERITECTIC SYSTEMS 被引量:2
6
作者 Zhang, Yongjun Zhang, Xunying Fu, Chongyue 《中国有色金属学会会刊:英文版》 EI CSCD 1997年第2期48-54,共7页
NEWMETHODSFORCALCULATINGACTIVITIESOFCOMPONENTSFROMPHASEDIAGRAMSINBINARYPERITECTICSYSTEMS①ZhangYongjunHunanSu... NEWMETHODSFORCALCULATINGACTIVITIESOFCOMPONENTSFROMPHASEDIAGRAMSINBINARYPERITECTICSYSTEMS①ZhangYongjunHunanSuperiorTechMateri... 展开更多
关键词 THERMODYNAMICS phase DIAGRAMS activity calculation BINARY PERITECTIC SYSTEMS
在线阅读 下载PDF
The Calculating Model of Structural Analysis for Jack-Up Rig Legs 被引量:1
7
作者 Gu Guowei and Huang Youqing Senier Engineer, China Ofishore Oil Development & Engineering Corporation, (CNOOC), Zhanajiang 524057 China Offshore Oil Development & Engineering Corporation, (CNOOC), Zhanajiang 524057 《China Ocean Engineering》 SCIE EI 1993年第4期409-416,共8页
The selection or establishment of structural calculating model is a matter of primary importance in structural analysis. By analysing the irrationality of the calculating models used by some research organizations at ... The selection or establishment of structural calculating model is a matter of primary importance in structural analysis. By analysing the irrationality of the calculating models used by some research organizations at home and abroad in structural analyses for truss jack-up rig legs, this paper introduces a new calculation model which is more reasonable. This model can simulate better the load situation of a rig reflecting more precisely the effects of the leg loads caused by the spring support of gearboxes of the jacking system and the secondary bending moment raised by hull displacement under extreme conditions. The rig conversion was completed in 1989. In July 1991 the rig safely stood the frontal hitting of Typhoon with the wind speed of 52 m / s, which shows that the checking on the structure is correct. 展开更多
关键词 JACK-UP LEG CONVERSION calculating model PLATFORM
在线阅读 下载PDF
Research on spatial calculating analysis model of landuse change 被引量:5
8
作者 张新长 潘琼 赵元 《Journal of Geographical Sciences》 SCIE CSCD 2004年第3期359-365,共7页
The spatial calculating analysis model is based on GIS overlay. It will compartmentalize the land in research district into three spatial types: unchanged parts, converted parts and increased parts. By this method we ... The spatial calculating analysis model is based on GIS overlay. It will compartmentalize the land in research district into three spatial types: unchanged parts, converted parts and increased parts. By this method we can evaluate the numerical model and dynamic degree model for calculating land-use change rates. Furthermore, the paper raises the possibility of revising the calculating analysis model of spatial information in order to predicate more precisely the dynamic changing level of all types of land uses. In the most concrete terms, the model is used mainly to understand changed area and changed rates (increasing or decreasing) of different land types from microcosmic angle and establish spatial distribution and spatio-temporal principles of the changing urban lands. And we will try to find out why the situation can take place by combining social and economic situations. The result indicates the calculating analysis model of spatial information can derive more accurate procedure of spatial transference and increase of all kinds of land from microcosmic angle. By this model and technology we can conduct the research of land-use spatio-temporal structure evolution more systematically and more deeply, and can obtain a satisfactory result. The result will benefit the rational planning and management of urban land use of developed coastal areas in China in the future. 展开更多
关键词 land use dynamic change spatial calculating analysis model
在线阅读 下载PDF
A methodology for calculating the passenger comfort benefits of railway travel 被引量:2
9
作者 Wencheng Huang Bin Shuai 《Journal of Modern Transportation》 2018年第2期107-118,共12页
A comfortable environment in railway passenger coaches can be regarded as a resource for social consumption during the transport process. Railway passenger comfort benefits (RPCBs) can be regarded as a special gener... A comfortable environment in railway passenger coaches can be regarded as a resource for social consumption during the transport process. Railway passenger comfort benefits (RPCBs) can be regarded as a special generalized cost. In this paper, we select a series of objective and subjective indexes to formulate a quantitative method of calculating the RPCB with considering ticket fares. This method includes three steps: make the initial data dimensionless, calculate the weight of each index, and finally calculate the RPCBs. The proposed method was validated with the data collected from two types of trains: G13 from Beijing South to Shanghai Hongqiao and T109 from Beijing to Shanghai. Also, questionnaire survey was conducted in both trains. After data processing, the results show that there is a linear relationship between the RPCB and ticket fare with a correlation coefficient of 0.9616. 展开更多
关键词 Railway transportation economy Comfortbenefit Quantitative calculation Passenger ticket fares Two-phase AHP
在线阅读 下载PDF
Method of branch ariflow for calculatinga complicated mine ventilation networks 被引量:1
10
作者 刘泽功 《Journal of Coal Science & Engineering(China)》 2001年第1期64-69,共6页
The solutions widely used at present for calculating complicated mine ventilation networks are ones in which resistance of the branches and characteristic parameters of the fans are taken as basic input data. But it i... The solutions widely used at present for calculating complicated mine ventilation networks are ones in which resistance of the branches and characteristic parameters of the fans are taken as basic input data. But it is time and energy consuming to obtain the branch resistance values. A new solution is developed in this paper in which the branch resistance values are obtained through measuring and evaluating the airflow of the whole ventilation network. Theoretical analysis is made of the establishment of a linear equation series with branch resistance as unknown numbers, an equation series for which one, and only one, result of solutions exists. This solution is programmed in C language and passed on a personal computer. The programmed solution programmed proves of practical use, as demonstrated by specific examples. Being different from other solutions, the method takes the branch airflow and fan working points as basic input data, and the present solution is of greater advantage for calculating ventilation networks of mines in operation. 展开更多
关键词 air resistance MEASUREMENTS calculATION COMPUTERS
在线阅读 下载PDF
Fuzzy recognition of missile borne multi-line array infrared detection based on size calculating 被引量:2
11
作者 Bing-shan Lei Jing Li +1 位作者 Wei-na Hao Ke-ding Yan 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2021年第4期1135-1142,共8页
In order to improve the infrared detection and discrimination ability of the smart munition to the dynamic armor target under the complex background,the multi-line array infrared detection system is established based ... In order to improve the infrared detection and discrimination ability of the smart munition to the dynamic armor target under the complex background,the multi-line array infrared detection system is established based on the combination of the single unit infrared detector.The surface dimension features of ground armored targets are identified by size calculating solution algorithm.The signal response value and the value of size calculating are identified by the method of fuzzy recognition to make the fuzzy classification judgment for armored target.According to the characteristics of the target signal,a custom threshold de-noising function is proposed to solve the problem of signal preprocessing.The multi-line array infrared detection can complete the scanning detection in a large area in a short time with the characteristics of smart munition in the steady-state scanning stage.The method solves the disadvantages of wide scanning interval and low detection probability of single unit infrared detection.By reducing the scanning interval,the number of random rendezvous in the infrared feature area of the upper surface is increased,the accuracy of the size calculating is guaranteed.The experiments results show that in the fuzzy recognition method,the size calculating is introduced as the feature operator,which can improve the recognition ability of the ground armor target with different shape size. 展开更多
关键词 Multi-line array infrared detection Size calculating Custom threshold de-noising Fuzzy comprehensive discrimination algorithm
在线阅读 下载PDF
A General Calculating Method of Rotor’s Torsional Stiffness Based on Stiffness Influence Coefficient 被引量:1
12
作者 Danmei Xie Wangfan Li +3 位作者 Ling Yang Yong Qian Xianbo Zhao Zhigang Gao 《Engineering(科研)》 2010年第9期698-704,共7页
In order to develop a general calculating rotor’s torsional stiffness based on stiffness influence coefficient for different rotor assembling, the calculation method of the torsional stiffness influence coefficient o... In order to develop a general calculating rotor’s torsional stiffness based on stiffness influence coefficient for different rotor assembling, the calculation method of the torsional stiffness influence coefficient of equal thickness disc is researched in this paper at first. Then the torsional stiffness influence coefficient λ of equal thickness disc is fit to a binary curved face and a calculation equation is obtained based on a large quantity of calculating data, which lays the foundation for research on a general calculating method of rotor torsional stiffness. Thirdly a simplified calculation method for equivalent stiffness diameter of stepped equal thickness disc and cone disc in the steam turbine generators is suggested. Finally a general calculating program for calculating rotor’s torsional vibration features is developed, and the torsional vibration features of a verity of steam turbine rotors are calculated for verification. The calculating results show that stiffness influence coefficient λ of equal-thickness disc depends on parameters of B and H, as well as the stiffness influence coefficient λ;and discs with complex structure can be simplified to equal-thickness discs with little error by using the method suggested in this paper;error can be controlled within 1% when equivalent diameter of stiffness is calculated by this method. 展开更多
关键词 ROTOR DISC GENERAL calculating Method Torsional STIFFNESS STIFFNESS Influence COEFFICIENT
在线阅读 下载PDF
Determine the Stress Calculating Mode of Sliding Failure of Soil Mass under the Push-Extend Multi-under-Reamed Pile 被引量:1
13
作者 Yongmei Qian Xuezhe Chen Xuewen Xie 《Engineering(科研)》 2014年第5期254-259,共6页
Through the analysis of the sliding failure form of soil mass under the bearing push-extend reamed of Push-extend Multi-under-reamed Pile, in the paper, the law of coulomb-Mohr is used to establish a stress function a... Through the analysis of the sliding failure form of soil mass under the bearing push-extend reamed of Push-extend Multi-under-reamed Pile, in the paper, the law of coulomb-Mohr is used to establish a stress function and the theory of the sliding line is used to establish Prandtl regional stress field, which determines the stress calculating mode of soil mass and provides a theoretical basis for a further study of this type of pile ultimate bearing capacity of soil mass. 展开更多
关键词 The Push-Extend Multi-under-Reamed Pile Sliding Failure the Bearing Push-Extend REAMED calculating MODE
在线阅读 下载PDF
A CALCULATING METHOD OF THE KILL PROBABILITY ATTACK AREA FOR AAM 被引量:1
14
作者 Li Ting-jie, Liu Run-quan and Wang Chao-zhiBeijing University of Aeronautics and Astronautics Zhu Gu-xiang and Wang Li-zhen014 Center of Ministry of Aeronautics and Astronautics 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 1991年第4期339-346,共8页
This paper provides a calculating method which can be used in calculation of the kill probability attack area for every AAM. At first, attack area of AAM and kill probability of every characteristic point are obtained... This paper provides a calculating method which can be used in calculation of the kill probability attack area for every AAM. At first, attack area of AAM and kill probability of every characteristic point are obtained by combining trajectory calculation with kill probability calculation. Then, coordinates of a fire point relative to standard kill probability value in terms of standardization method are found. At last, equivalent kill probability curve equations are formulated by means of curve fitting method. 展开更多
关键词 A calculating METHOD OF THE KILL PROBABILITY ATTACK AREA FOR AAM area
在线阅读 下载PDF
The Method of Calculating Average Skidding Distance
15
作者 张志贤 冯志丽 《Journal of Forestry Research》 SCIE CAS CSCD 1997年第1期47-49,共3页
By analyzing the existing average skidding distance formulac and the shape of the landing area, theauthors put forward that the average skidding distance is the shortest when the ratio of length and width is 1, and th... By analyzing the existing average skidding distance formulac and the shape of the landing area, theauthors put forward that the average skidding distance is the shortest when the ratio of length and width is 1, and the landing collectioll area is in proportion to of average geometrical skidding distance. The new models of calculating average distance are presented. 展开更多
关键词 AVERAGE DISTANCE calculATION METHOD Loggingarea
在线阅读 下载PDF
Junction Pressure Composing MethodCalculating the Total Resistance of Mine Ventilation Network
16
作者 吴兵 周心权 《International Journal of Mining Science and Technology》 SCIE EI 1997年第2期42-46,共5页
In mine ventilation network calculation, the total ventilatiou perameters, such as total specific resistance and total natural veutilatiou pressure of an overall mine ventilation system, play an important role on sele... In mine ventilation network calculation, the total ventilatiou perameters, such as total specific resistance and total natural veutilatiou pressure of an overall mine ventilation system, play an important role on selecting main fan and regulating its operating point. This paper explains the critical effect of network’ s total parameter calculation on the above two aspects and presents a new method, the junction pressure composing method(JPC method), which can be applied to calculate the total resistance.of an overall, complex and multi-fan ventilation network. Based on the total ressistance and airflow rate of main fan, total specific resistance of a natwork is easily calculated. This method gets rid of those shortcomings in the route airflow working mathod(RAW method), greatly improves computing speed and adaptability, and can calculate the total parameters of a mine ventilation network rapidly and conveniently. This method is proved to be correct and reliable by example tests. 展开更多
关键词 TOTAL ventilation RESISTANCE ventilation network calculATION FAN operating POINT
在线阅读 下载PDF
Calculating method of circle radius using genetic algorithms
17
作者 廖平 喻寿益 钟掘 《中国有色金属学会会刊:英文版》 CSCD 2000年第1期127-129,共3页
Some improved methods of the traditional genetic algorithms were proposed and their application in calculating circle radius was discussed. Simulation shows that real number encoding, simulated annealing and saving th... Some improved methods of the traditional genetic algorithms were proposed and their application in calculating circle radius was discussed. Simulation shows that real number encoding, simulated annealing and saving the best individual into the next generation can effectively improve the accuracy and speed up the searching for global optimization. It is also shown that improved genetic algorithms can effectively calculate the circle radius and be realized easily using computer. 展开更多
关键词 GENETIC ALGORITHMS circle RADIUS calculating METHOD ERROR analysis
在线阅读 下载PDF
CALCULATING ACTIVITIES USING Δfus H(Aη)( Bξ AND CALCULATION OF ACTIVITIES IN Ga-As, Ga-Sb AND In-Sb SYSTEMS
18
《中国有色金属学会会刊:英文版》 CSCD 1997年第4期112-118,共7页
CALCULATINGACTIVITIESUSINGΔfusHAηBξANDCALCULATIONOFACTIVITIESINGaAs,GaSbANDInSbSYSTEMS①LiWenchao,ZhouGuozhi,... CALCULATINGACTIVITIESUSINGΔfusHAηBξANDCALCULATIONOFACTIVITIESINGaAs,GaSbANDInSbSYSTEMS①LiWenchao,ZhouGuozhi,LiXingkang,Din... 展开更多
关键词 binary phase DIAGRAM ENTHALPY of fusion activity calculATION semiconductor
在线阅读 下载PDF
Calculating Model of Interference Amount for Miniaturized Gear and Shaft Shrink Fit
19
作者 金鑫 张之敬 +1 位作者 叶鑫 李忠新 《Journal of Beijing Institute of Technology》 EI CAS 2006年第2期138-143,共6页
Based on miniaturized components' characteristics, the method of assembling miniaturized gear and shaft together with corresponding calculating model of the interference amount are proposed. On the basis of main effe... Based on miniaturized components' characteristics, the method of assembling miniaturized gear and shaft together with corresponding calculating model of the interference amount are proposed. On the basis of main effecting factors analysis on the gear and shaft assembling interference amount, calculating formula including all factors effective on the interference amount necessary for reliable system running was built up. The methods of reverse calculating theoretical model was used to build up the equivalent simulation model of the theoretical one, together with simulation verification and case study for calculating formula. The results show that the cold assembling method is applicable for miniaturized gear and shaft, but in the assembling process, the interference amount compensating the shape error of contacting surfaces takes a large proportion, which is the main cause of stress variance on contacting surfaces. 展开更多
关键词 MINIATURIZED interference amount calculating model cold assembling simulation model
在线阅读 下载PDF
Rapidly calculating the partition function of macroscopic systems
20
作者 李菁田 宁博元 +2 位作者 龚乐诚 庄军 宁西京 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第3期236-241,共6页
It has remained an open problem to accurately compute the partition function of macroscopic systems since the establishment of statistical physics. A rapid method approaching this problem was presented and was strictl... It has remained an open problem to accurately compute the partition function of macroscopic systems since the establishment of statistical physics. A rapid method approaching this problem was presented and was strictly tested by molecular dynamic (MD) simulations on Ar atoms in both dense gaseous and liquid states. The outcomes from the method on the internal energy and the work of isothermal expansion (and therefore the free energy) are in good agreement with the MD simulations, suggesting the method would be immediately applied in vast areas. 展开更多
关键词 partition function statistical physics free energy calculation
原文传递
上一页 1 2 250 下一页 到第
使用帮助 返回顶部