Development of lattice inversion modified embedded atom method and its applications

Xianbao Duan,Bing Zhou,Rong Chen,Huamin Zhou,YanweiWen,Bin Shan 한국물리학회 2014 Current Applied Physics Vol.14 No.12

The modified embedded atom method (MEAM) has been widely used in describing the physical properties of elemental crystals, alloys and compounds with multiple lattice structures. We report here the development of a reliable procedure to reduce the complexity of the MEAM formalism by removing the many-body screening function. In the proposed formulation, the interatomic pair potential is obtained by applying Chen-M€obius lattice inversion up to fifth nearest neighbors, so that the cohesive energy curve can be reproduced faithfully. The newly developed model (Lattice Inversion MEAM, LI-MEAM), which can be viewed as a direct extension of the embedded atom method (EAM), no longer requires the computation of many-body screen functions and has fewer adjustable parameters than MEAM. As an illustration, we optimized the potential parameters of body centered cubic iron (bcc-Fe). The values of the calculated physical properties agree well with experimental results. We further investigated the sizedependent melting behavior of bcc-Fe nanoparticles (NPs) with particle size ranging from 725-atom (~25 Å) to 22899-atom (~80 Å) using replica exchange molecular dynamics (REMD) simulations. Our simulations show advantages of LI-MEAM in modeling of the melting process and quantitatively reveals that the liquid skin melting (LSM) process of bcc-Fe NPs.

Non-isothermal Crystallization Behavior, Rheological and Thermal Conductive Properties of Recycled Polyethylene Terephthalate/Polyethylene Blends

Bin Yang,Dan Wang,Qin-Ting Chen,Jin Chen,Kang Chen,Ji-Bin Miao,Jia-Sheng Qian,Ru Xia,You Shi 한국고분자학회 2020 폴리머 Vol.44 No.3

In this study, we prepared series of recycled polyethylene terephthalate (RPET)/polyethylene (PE) blends using melt extrusion. The effect of RPET content on crystallization behavior and thermal conductive properties of the resultant blends were investigated using differential scanning calorimetry (DSC), dynamic mechanical thermal analysis (DMTA), etc. RPET was found to exert nucleating effect on the melt crystallization of PE. The Agari model presented fairly reasonable prediction of thermal conductivity as a function of RPET loading. The melt cooling process was predicted with an enthalpy transformation method (ETM), which is a well-established mean of evaluating the instantaneous heat conduction of crystalline polymers/composites, and the obtained curves were consistent with our experimental results. Besides, a four-parameter model (FPM) was adopted coupled with an in-situ temperature measurement in order to further disclose the solidification and crystallization kinetics of PE in the presence of RPET in the blends.

The Effect of Trombe Wall on Indoor Humid Climate in Dalian, China

Bin Chen,Hhuijuan Chen,Shirong Meng,Xin Chen,Peng Sun,Yinghui Ding 한국태양에너지학회 2004 한국태양에너지학회 학술대회논문집 Vol.- No.-

Kinetics of Nitrogen Absorption in Molten AISI 316 Stainless Steel During Immersion Nitrogen Blowing

Chen Jian-Bin,Chen Qi-Zhong,Chen Zhao-Ping,Jiang Zhou-Hua,Huang Zong-Ze,Pan Jia-Qi 대한금속·재료학회 2012 METALS AND MATERIALS International Vol.18 No.1

Nitrogen absorption in molten metal for stainless steel AISI316 has been investigated by immersion nitrogen blowing through an immersed alumina nozzle with an internal diameter of 3 mm. Based on these experimental data, some kinetic parameters of nitrogen absorption, such as reaction order, rate constant and apparent activation energy of nitrogen absorption reaction, have been obtained. Effect of stirring by immersion nitrogen blowing through an immersed alumina nozzle on nitrogen absorption reaction has been observed. Results show the following: (1) Nitrogen absorption reaction is the −1.5th order reaction. The rate constant N is of the order of 10−5wt%2.5·min −1. Nitrogen absorption reaction for AISI 316 has negative apparent activation energy of −92.40 kJ·mol −1. This indicates that the nitrogen absorption reaction has a complex and multistep reaction mechanism. (2) The rate of nitrogen absorption reaction in molten stainless steel is mixture control by the adsorption of monatomic nitrogen on the surface of molten stainless steel and mass transfer in molten metal. (3) A rate equation of nitrogen absorption reaction has been derived based on a mixed control mechanism by both the -1st order nitrogen absorption reaction and mass transfer in molten metal.

建筑考古视角下凤林古城空间特点探究

陈彬彬 ( Chen¸ Bin Bin ),董健菲 ( Dong¸ Jianfei ),韩东洙 ( Han¸ Dong Soo ) 한국중국학회 2021 중국학보 Vol.97 No.-

在中国古代城市史的研究中, 关于古代都城的研究多集中在传统城市文化内核区, 而边缘地区的都城相关研究尚待完善。本次研究是在汉魏时期黑龙江地域的民族和文化背景下, 通过溯源凤林古城的历史信息, 解读都城的内部关系, 总体布局, 并与文化核心区的都城进行比较分析, 从而阐释凤林古城的都城空间特点, 丰富在建筑考古视角下对黑龙江地域古代都城方面的研究, 同时也有助于对东北地区都城历史发展脉络的建构。 In the study of ancient Chinese urban history, the study of ancient capitals mainly focuses on the core area of traditional urban culture, while the study of capitals in marginal areas remains to be improved. Under the national and cultural background of Heilongjiang region in the Han and Wei dynasties, this study traces the historical information of Fenglin ancient city, interprets the interal relationship and overall layout of the capital, and makes a comparative study with the capital in the culture core area, so as to enrich the research on the ancient capital of Heilongjiang region from the perspective of Architecturak Archaeology, and also helps to understand the historical development of the capital in Northeast China The construction of collaterals.

Spin and quadrupole couplings for high spin equatorial intermediate mass-ratio coalescences

Chen, Bin,Compè,re, Geoffrey,Liu, Yan,Long, Jiang,Zhang, Xuao Institute of Physics 2019 Classical and quantum gravity Vol.36 No.24

<P>Intermediate mass-ratio coalescences are potential signals of ground-based and space-based gravitational observatories. Accurate modeling of their waveforms within general relativity can be achieved within black hole perturbation theory including self-force and finite size effects. In this paper, we present analytic results to the Teukolsky perturbation of equatorial orbits in the near-horizon region of an extremely high spin black hole including spin coupling and finite size effects at leading order in the high spin limit while neglecting the self-force. We detail the critical behavior occuring close to the smallest specific angular momentum, and we discuss features of spin and quadrupole couplings.</P>

Concrete properties prediction based on database

Bin Chen,Qian Mao,Jingquan Gao,Zhaoyuan Hu 사단법인 한국계산역학회 2015 Computers and Concrete, An International Journal Vol.16 No.3

1078 sets of mixtures in total that include fly ash, slag, and/or silica fume have been collected for prediction on concrete properties. A new database platform (Compos) has been developed, by which the stepwise multiple linear regression (SMLR) and BP artificial neural networks (BP ANNs) programs have been applied respectively to identify correlations between the concrete properties (strength, workability, and durability) and the dosage and/or quality of raw materials’. The results showed obvious nonlinear relations so that forecasting by using nonlinear method has clearly higher accuracy than using linear method. The forecasting accuracy rises along with the increasing of age and the prediction on cubic compressive strength have the best results, because the minimum average relative error (MARE) for 60-day cubic compressive strength was less than 8%. The precision for forecasting of concrete workability takes the second place in which the MARE is less than 15%. Forecasting on concrete durability has the lowest accuracy as its MARE has even reached 30%. These conclusions have been certified in a ready-mixed concrete plant that the synthesized MARE of 7-day/28-day strength and initial slump is less than 8%. The parameters of BP ANNs and its conformation have been discussed as well in this study.

Primary-Side Control for Flyback Converter with Wide Range Operation

Bin-Kun Huang,Tsorng-Juu Liang,Wei-Jing Tseng,Kai-Hui Chen,Qing-Mu Chen 전력전자학회 2019 ICPE(ISPE)논문집 Vol.2019 No.5

Most of current primary side regulation (PSR) control methods are implemented in either discontinuous conduction mode (DCM) or continuous conduction mode (CCM). Because of the difficulty in sensing the output voltage, no algorithm is suitable for both DCM and CCM, and the power range of the system is limited. The proposed controller is suitable for both DCM and CCM with wide power range operation. The “TSMC 0.25 μm CMOS high voltage mixed signal process” is adopted to implement the proposed IC. A flyback converter with 400 V input and 20 V/150 W output is built to verify the feasibility of proposed control IC.

Graphitization of graphene oxide films under pressure

Chen, Xianjue,Deng, Xiaomei,Kim, Na Yeon,Wang, Yu,Huang, Yuan,Peng, Li,Huang, Ming,Zhang, Xu,Chen, Xiong,Luo, Da,Wang, Bin,Wu, Xiaozhong,Ma, Yufei,Lee, Zonghoon,Ruoff, Rodney S. Elsevier 2018 Carbon Vol.132 No.-

<P><B>Abstract</B></P> <P>Lightweight, flexible graphite foils that are chemically inert, high-temperature resistant, and highly electrically and thermally conductive can be used as component materials in numerous applications. “Graphenic” foils can be prepared by thermally transforming graphene oxide films. For this transformation, it is desirable to maintain a densely packed film structure at high heating rates as well as to lower the graphitizing temperatures. In this work, we discuss the pressure-assisted thermal decomposition of graphene oxide films by hot pressing at different temperatures (<I>i.e.</I>, 300 °C, 1000 °C, or 2000 °C). The films pressed at 1000 °C or 2000 °C were subsequently heated at 2750 °C to achieve a higher degree of graphitization. The combination of heating and pressing promotes the simultaneous thermal decomposition and graphitic transformation of G-O films. Films pressed at 2000 °C as well as films further graphitized at 2750 °C show high chemical purity, uniformity, and retain their flexibility. For films pressed at 2000 °C and then further heated at 2750 °C, the mechanical performances outperform the reported values of the “graphite” foils prepared by calendering exfoliated graphite flakes; the electrical conductivity is ∼3.1 × 10<SUP>5</SUP> S/m and the in-plane thermal conductivity is ∼1.2 × 10<SUP>3</SUP> W/(m·K).</P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

Optical Super-Resolution Imaging of Surface Reactions

Chen, Tao,Dong, Bin,Chen, Kuangcai,Zhao, Fei,Cheng, Xiaodong,Ma, Changbei,Lee, Seungah,Zhang, Peng,Kang, Seong Ho,Ha, Ji Won,Xu, Weilin,Fang, Ning American Chemical Society 2017 Chemical reviews Vol.117 No.11

<P>Optical super-resolution imaging has gained momentum in investigations of heterogeneous and homogeneous chemical reactions at the single-molecule level. Thanks to its exceptional spatial resolution and ability to monitor dynamic systems, much detailed information on single-molecule reaction/adsorption processes and single-particle catalytic processes has been revealed, including chemical kinetics and reaction dynamics; active-site distributions on single-particle surfaces; and size-, shape-, and facet-dependent catalytic activities of individual nanocatalysts. In this review, we provide an overview of recent advances in super-resolution chemical imaging of surface reactions.</P>