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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.
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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.
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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.
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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.
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Bin Li,Lei Wang,Lingqia Su,Sheng Chen,Zhaofeng Li,Jian Chen,Jing Wu 한국생물공학회 2012 Biotechnology and Bioprocess Engineering Vol.17 No.6
OmpA signal peptide mediated cgt gene from Paenibacillus macerans JFB05-01 was cloned and expressed in E. coli BL21 (DE3). The effects of glycine and Triton X-100 on extracellular production of α-cyclodextrin glycosyltransferase (α-CGTase) were investigated. When supplemented with Gly or Triton X-100 to the culture media individually, the secreted extracellular enzyme reached 32or 33 U/mL at 48 h of cultivation, respectively. When supplemented with Gly and Triton X-100 together, the extracellular α-CGTase activity reached 48 U/mL after 48 h cultivation, which was 20-fold of the control group without any additives. Analysis of membrane permeability demonstrated that addition of glycine and Triton X-100enhanced the permeability of both outer and inner membrane. The potential mechanism of the enhanced protein secretion was discussed.
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Recrystallization and Microstructural Evolution During Hot Extrusion of Mg97Y2Zn1 Alloy
Bin Chen,Xiaoling Li,Chen Lu,Dongliang Lin 대한금속·재료학회 2014 METALS AND MATERIALS International Vol.20 No.3
This study revealed that the extrusion temperature has a great influence on microstructure and mechanicalproperties of the Mg97Y2Zn1 alloy. The average grain sizes increased from 3 μm to 8 μm with increasingextrusion temperatures from 623K to 773 K. Both dynamic recrystallization (DRX) and static recrystallization(SRX), which occur during and after deformation, respectively, were observed. The alloy, which extrudedat a relatively high temperature, exhibited lower strength because the strain strengthening was balanced bythe softening that originated from DRX. Three types of morphologies, namely, big recrystallized grains, fine recrystallizedgrains, and non-recrystallized grains, were observed in the extruded microstructures obtained at 623 K. The dislocation density was quite high in the fully recrystallized grain. The extruded microstructures obtainedat 773 K were composed of large grains with more uniform size. Their degree of recrystallization was higherand the dislocation density also declined. All dislocation in the grain were distinguished as <c+a> dislocations. Submicron scale precipitates were distributed along the newly formed recrystallized grain boundaries andhad a remarkable pinning effect on the recrystallized grain growth after extrusion at 773 K. The precipitates canbe divided into two main types: mixed type and single type.
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Study on the Joining of 2D Microstructure during the Fabrication of 3D Micro-Mold
Bin Xu,Xiao-yu Wu,Jian-guo Lei,Feng Luo,Chen-lin Du,Shuang-chen Ruan,Zhen-long Wang 한국정밀공학회 2014 International Journal of Precision Engineering and Vol. No.
The 3D micro-mold which is fabricated by the femtosecond laser cutting and micro electric resistance slip welding is formed throughthe lamination of multilayer 2D microstructures. By using this technology, the 3D micro-mold with a high depth-width ratio can bemanufactured. In order to improve the laminated precision and joining strength of each layer of 2D microstructure, this researchapplied layer-by-layer micro electric resistance slip welding to weld each layer of 2D microstructure. Firstly, the proper technicalparameters were obtained through the experiments of layer-by-layer micro electric resistance slip welding. Secondly, through thelayer-by-layer micro electric resistance slip welding, multilayer 2D microstructures were weld together and a 3D micro-mold wasformed. Moreover, the anti-shear stress test of 3D micro-mold was done. In the layer-by-layer slip welding process, electrode couldproduce some losses and the losses could deposit on the surface of micro-mold. This research also studied the deposition effect ofthe electrode. Finally, based on the above studies, the micro square-hole array and the micro-gear cavity were fabricated by joiningmultilayer 2D microstructure.
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Bin Sun,Yu-Xiang Zheng,Cong-Hui Xu,Liang-Yao Chen,Peng Zhou,Yue-Rui Chen,Yu-Fei Kong 한국물리학회 2006 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.49 No.5I
In our work, silicon and silica composite .lms were prepared by using a magnetron sputtering method, and the samples were annealed in the temperature range between 200 ±C and 600 ±C. After annealing, the samples were investigated by spectroscopic ellipsometry (SE), and the SE spectra were measured in the range of 1.5 eV ≫ 4.5 eV with a dual-rotating-element ellipsometer. In order to investigate the microstructure information of the .lm by .tting the SE spectra using the eective- medium approximation (EMA), we modeled the whole .lm by using a multilayer optical model including a surface oxide layer, a composite layer, and substrate layer. We used dierent mixtures to describe the composite layer, and .nally we found that a mixture of amorphous silicon (a-Si), polycrystalline silicon (p-Si), and silicon dioxide had the best .t to the SE spectra. Whereafter, we studied the dependences of the surface roughness, the layer structure, and the composition on the dierent annealing temperatures and found that with increasing annealing temperature, the surface oxide layer grew in thickness, the silicon dioxide maintained its volume fraction, and a-Si transferred to p-Si.
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