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Development of Integrated Computational Materials Engineering(ICME)Model for Mg Alloy Design and Process Optimization

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Journal of Beijing Institute of Technology 2023年第4期32卷 422-442页

作者： Hui Su zhifei yan Yingchun Tian Chengpeng Xue Shuo Wang Guangyuan Tian Xinghai yang Quan Li Xuelong Wu Zhongyao Li Junsheng Wang School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China China North Industries Group No.52 Research InstituteBaotouInner Mongolia 014030China

Integrated computational materials engineering(ICME)has emerged to be one of the most powerful materials genome engineering(MGE)approaches in designing new materials and manufacturing processes in recent *** has successfully deployed many new products for the electronic,automotive,and aerospace *** paper reviews the current status of research on first principles in the design of high-strength Mg alloys,discusses the application of crystal plasticity finite element models to the microscale slip,twinning,microstructure morphology,texture evolution,and macroscopic forming of Mg alloys,and introduces the research progress of crystal plasticity finite element models and phase field models,meta cellular automata models and first principles coupled models respectively,around the need for multi-scale coupled simulations of Mg *** key technology obstacles of integrating the first principles,crystal plasticity finite element,and microstructure models for Mg alloys have been *** paper can provide a reference for the design of new Mg alloy compositions and the development of high-performance Mg alloys.

关键词： first-principles crystal plasticity finite elements microstructure Mg alloys

First-principle screening of corrosion resistant solutes(Al,Zn,Y,Ce,and Mn)in Mg alloys for Integrated Computational Materials Engineering guided stainless Mg design

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Materials Genome Engineering Advances 2024年第1期2卷 80-96页

作者： Zhihao yang Junsheng Wang Chi Zhang Shuo Wang Chengpeng Xue Guangyuan Tian Hui Su Chengming yan zhifei yan Yingchun Tian School of Materials Science and Engineering Beijing Institute of TechnologyBeijingChina Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijingChina School of Materials Science and Engineering Shenyang University of TechnologyShenyangChina China North Industries Group No.52 Research InstituteBaotouInner MongoliaChina

Mg alloy suffers from its poor corrosion resistance as a result of anodic dissolution of Mg and hydrogen evolution reaction(HER)in humid *** this study,the effects of alloying elements(Al,Zn,Y,Ce,and Mn)on both processes in Mg alloys have been quantitatively *** first-principle calculations,we first obtained the substitution energies of alloying elements to compare their segregation preference,and then analyzed the influence of solutes at different layers on the stability and hydrogen adsorption properties of Mg(0001)surface by calculating the formation enthalpy,surface energy,vacancy formation energy,work function,Bader charge,deformation charge density,and adsorption free energy of H *** has been found that,on the one hand,the interior Mn solute atoms reduce the dissolution of Mg atoms and the transfer of electrons,consequently slowing down the anodic dissolution *** another hand,the Mn,Y,and Ce elements on the surface inhibit the cathodic HER process by elevating the absolute value of hydrogen adsorption free energy,as a result of those solutes effectively controlling H adsorption behavior on Mg(0001)*** contrast,all five elements dissolved inside the Mg grain do not show significant effects on the H adsorption behavior.

关键词： corrosion DFT first-principle hydrogen evolution reaction Mg alloys stainless Mg

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应用EPS材料减少桩基负摩擦力问题的研究

人民长江 2012年第10期43卷 17-19,35页

作者：房勇侯海伟严之菲马兴华中交上海航道勘察设计研究院有限公司上海200120

某近海围堤工程需穿越已建引桥的桩基,由于地基承载力低、沉降大,引桥桩基将产生较大负摩擦力,有可能使桩基遭到破坏。在引桥桩基附近的围堤施工中,提出利用轻质EPS材料作为筑堤材料,以减轻堤身荷载,减少桩基附近的地基沉降,从而减小桩... 详细信息

某近海围堤工程需穿越已建引桥的桩基,由于地基承载力低、沉降大,引桥桩基将产生较大负摩擦力,有可能使桩基遭到破坏。在引桥桩基附近的围堤施工中,提出利用轻质EPS材料作为筑堤材料,以减轻堤身荷载,减少桩基附近的地基沉降,从而减小桩基的负摩擦力。通过详细的变形计算,分析了EPS材料对减小地基沉降和桩基负摩擦力的明显效果。完工后的监测数据表明,该处理措施具有很好的适用性和经济性。

关键词： EPS材料荷载负摩擦力桩基

基于CSP工艺热轧及冷轧过程3%Si钢组织和织构的演变

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特殊钢 2012年第2期33卷 65-67页

作者：闫志飞金自力计云萍刘朋成张利博内蒙古科技大学材料与冶金学院包头014010

3%Si钢(/%:0.067C、3.09Si、0.34Mn、0.007P、0.003S、0.70Cu、≤0.005Al、0.0080～0.0120N)由50kg真空感应炉冶炼,并在实验室轧机经6道次热轧成3.5mm板,终轧温度850℃,卷取温度650℃,热轧板经常化处理后由4辊可逆轧机6道次冷轧成0.50mm薄板。分析结果表明,热轧板表面主要为随机分布较大的等轴晶,中心处由细小等轴晶和长条状晶粒组成,并出现了很强的旋转立方织构{001}〈110〉。经过冷轧,薄板表面出现了很强的α织构和γ织构组分,并且冷轧板保留了热轧的{001}〈110〉旋转立方织构。

关键词： 3%Si钢热轧冷轧组织织构演变

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烷基咪唑离子液体插层高岭石的制备与表征

材料科学与工艺 2015年第4期23卷 99-104页

作者：黄亚楠严志飞杜小龙杨显德王君霞吴秀玲中国地质大学(武汉)材料与化学学院武汉430074

为研究离子液体插层高岭石复合材料的性能,利用三步插层法合成离子液体1-乙基-3-甲基咪唑溴盐/高岭石(K-[Emim]Br)、1-丁基-3-甲基咪唑溴盐/高岭石(K-[Bmim]Br),采用X射线衍射(XRD)、红外光谱(FTIR)、差热分析法(TG-DSC)、扫描电镜(SEM... 详细信息

为研究离子液体插层高岭石复合材料的性能,利用三步插层法合成离子液体1-乙基-3-甲基咪唑溴盐/高岭石(K-[Emim]Br)、1-丁基-3-甲基咪唑溴盐/高岭石(K-[Bmim]Br),采用X射线衍射(XRD)、红外光谱(FTIR)、差热分析法(TG-DSC)、扫描电镜(SEM)及紫外吸收光谱(UV)等技术对产物进行表征.结果表明:离子液体分子已经进入到高岭石层间,将片层撑开,增大了层间距,说明其插层成功;离子液体与高岭石内表面羟基形成氢键;离子液体插层后,高岭石的脱羟基温度由492℃分别上升到501和494℃,热稳定性能得到提升;插层复合物的形貌较原始高岭石有了明显改变;复合物在紫外区域具有良好的紫外吸收性能.

关键词：咪唑离子液体二甲基亚砜高岭石紫外吸收

热轧板初始组织对冷轧无取向硅钢织构演变的影响

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特殊钢 2012年第2期33卷 55-57页

作者：刘朋成金自力任慧平闫志飞张磊内蒙古科技大学材料科学与冶金学院包头014010 包钢集团无缝钢管厂包头014010

研究了27.5 mm热轧板的初始组织(热轧态,850℃退火、950℃退火)对冷轧态和870℃退火的0.5mm冷轧无取向硅钢50W600薄板(/%:0.004C、0.33Si、0.38Mn、0.099P、0.007S、0.32Al)织构演变的影响。结果表明,经冷轧后冷轧板织构中{100}〈011〉... 详细信息

研究了27.5 mm热轧板的初始组织(热轧态,850℃退火、950℃退火)对冷轧态和870℃退火的0.5mm冷轧无取向硅钢50W600薄板(/%:0.004C、0.33Si、0.38Mn、0.099P、0.007S、0.32Al)织构演变的影响。结果表明,经冷轧后冷轧板织构中{100}〈011〉和{112}〈110〉织构密度明显增大,末退火热轧板轧成的冷轧板织构密度较退火热轧板轧成的冷轧板强;经未退火热轧板冷轧成的薄板再结晶退火后的织构中主要为{100}〈011〉、{110}〈011〉和{111}〈112〉,退火热轧板冷轧成的薄板再结晶退火后的织构除{100}〈011〉和{110}〈011〉外还有密度较强的高斯织构。

关键词：无取向硅钢热轧板初始组织冷轧板再结晶退火织构

基于激光熔覆与表面堆焊工艺锤头组织性能对比研究

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兵器材料科学与工程 2018年第2期41卷 77-79页

作者：王力杰时静闫志飞刘素芬李永峰侯永亮中国兵器科学研究院宁波分院内蒙古包头014034 包头市南郊农村信用联社股份有限公司内蒙古包头014010

采用表面堆焊和激光熔覆两种工艺对精锻机锤头进行表面处理,利用光学金相显微镜、硬度测试仪等手段,研究锤头的微观结构与界面特征,测定层深,对锤头做性能分析,研究对比两种工艺锤头的理化性能。结果表明:表面堆焊锤头对基体的热影响层... 详细信息

采用表面堆焊和激光熔覆两种工艺对精锻机锤头进行表面处理,利用光学金相显微镜、硬度测试仪等手段,研究锤头的微观结构与界面特征,测定层深,对锤头做性能分析,研究对比两种工艺锤头的理化性能。结果表明:表面堆焊锤头对基体的热影响层厚达4.65 mm,界面处基体晶粒长大,硬度较低;而激光熔覆技术对基体影响较小,热影响层厚为1.71 mm,界面处晶粒变化不大,工作层硬度最高达到64.0HRC,在界面结合处硬度实现了平稳过渡。

关键词：精锻机锤头激光熔覆表面堆焊界面特征

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双金属复合锤头界面特征分析

铸造技术 2016年第3期37卷 504-506页

作者：闫志飞王婵吕建军田迎春张鸣一李淑利中国兵器工业集团第五二研究所内蒙古包头014034 内蒙古科技大学内蒙古包头014010

以消失模铸造工艺生产的液-液复合锤头为研究对象,利用万能试验机、扫描电镜和显微硬度仪对复合锤头的界面特征进行了研究。结果表明,复合锤头结合界面为冶金结合,合金元素在高温熔融状态下相互扩散,造成材料硬度的平缓过渡,高铬铸铁部... 详细信息

以消失模铸造工艺生产的液-液复合锤头为研究对象,利用万能试验机、扫描电镜和显微硬度仪对复合锤头的界面特征进行了研究。结果表明,复合锤头结合界面为冶金结合,合金元素在高温熔融状态下相互扩散,造成材料硬度的平缓过渡,高铬铸铁部分硬度值为55~60 HRC,碳钢部分硬度值为40~50 HRC。

关键词：消失模铸造界面双金属锤头

Chemoenzymatic Synthesis of N,N,N-Trimethyl-D-Glucosamine Chitotriomycin and Its Analogues

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Chinese Journal of Chemistry 2024年第19期42卷 2293-2298页

作者： Jianghua Li yan Zhang zhifei Hu Jinfeng Ye Hongzhi Cao Key Laboratory of Marine Drugs of Ministry of Education Shandong Key Laboratory of Glycoscience and GlycotechnologySchool of Medicine and PharmacyOcean Universityof ChinaQingdaoShandong 266003China b Laboratory for Marine Drugs and Bioproducts Laoshan LaboratoryQingdaoShandong 266237China

Comprehensive Summary,N,N,N-Trimethyl-D-glucosamine(TMG)-chitotriomycin,a naturally occurring chitin related oligosaccharide,is a specificβ-N-acetylhexosaminidases(HexNAcases)inhibitor for insects and *** TMG-chitoriomycin holds great promise as a novel class insecticide and fungicide,the limited accessibility of TMG-chitotriomycin prevents its further biological *** report herein a simple and eco-friendly chemoenzymatic approach for the efficient synthesis of TMG-chitotriomycin and its *** this strategy,the readily available chitosan was enzymatically hydrolyzed and chemically N-acetylated to afford the chitooligosaccharides ranging from disaccharide to *** chitooligosaccharides were selectively deacetylated by two different chitin deacetylases followed by chemical N-trimethylation to obtain the desired TMG-chitotriomycin and a total of 13 TMG-chitotriomycin analogues in the longest linear sequence of 4 steps in over 12%total yields.

关键词： Carbohydrates Glycosylation Chitosan Oligosaccharides Biocatalysis