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Specialising neural network potentials for accurate properties and application to the mechanical response of titanium

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npj Computational Materials 2021年第1期7卷 1908-1918页

作者： Tongqi Wen Rui Wang lingyu zhu Linfeng Zhang Han Wang David J.Srolovitz Zhaoxuan Wu Department of Materials Science and Engineering City University of Hong KongKowloonHong KongSARChina Hong Kong Institute for Advanced Study City University of Hong KongKowloonHong KongSARChina Beijing Institute of Big Data Research BeijingChina Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijingChina Department of Mechanical Engineering The University of Hong KongHong KongSARChina International Digital Economy Academy(IDEA) ShenzhenChina

Large scale atomistic simulations provide direct access to important materials phenomena not easily accessible to experiments or quantum mechanics-based calculation *** and efficient interatomic potentials are the key enabler,but their development remains a challenge for complex materials and/or complex *** learning potentials,such as the Deep Potential(DP)approach,provide robust means to produce general purpose interatomic ***,we provide a methodology for specialising machine learning potentials for high fidelity simulations of complex phenomena,where general potentials do not *** an example,we specialise a general purpose DP method to describe the mechanical response of two allotropes of titanium(in addition to other defect,thermodynamic and structural properties).The resulting DP correctly captures the structures,energies,elastic constants andγ-lines of Ti in both the HCP and BCC structures,as well as properties such as dislocation core structures,vacancy formation energies,phase transition temperatures,and thermal *** DP thus enables direct atomistic modelling of plastic and fracture behaviour of *** approach to specialising DP interatomic potential,DPspecX,for accurate reproduction of properties of interest“X”,is general and extensible to other systems and properties.

关键词： titanium enable neural

Study on the Detection Methods of DC Series Arc Fault

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高电压技术 2013年第9期39卷 2131-2137页

作者： JI Shengchang LIU Yuan zhu Yeye zhu lingyu State Key Laboratory of Electrical Insulation and Power Equipment School of Electrical Engineering Xi'an Jiaotong University Xi'an 710049 China

It is difficult to detect and extinguish direct current(DC)arc in power electronics systems,and the arc could easily lead to a fire and cause great damage to surrounding equipment.A DC arc generation simulation unit is established,in which DC series arcs are generated by dragging the moving electrode away from the fixed one with the help of the stepper *** addition,a ferrite rod antenna is used to receive the electromagnetic radiation signals induced by the *** on experiments using the unit,the general characteristics of DC arc,including the pulse characteristics of arc current and source output in corresponding time window,and the frequency-domain characteristics of arc current,are *** discussion on three detection methods,it is concluded that the variation of current and voltage of arc,the spectrum of the arc current during the discontinuous intervals and the radiating electromagnetic signal are all features that can be adopted for detecting DC series ***,a synthetic judgment method is suggested for further study.

关键词：故障检测方法直流电弧 DC 电磁辐射信号电力电子系统电弧电流模拟单元脉冲特性

Supplementation with yak (Bos grunniens) bone collagen hydrolysate altered the structure of gut microbiota and elevated short-chain fatty acid production in mice

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Food Science and Human Wellness 2023年第5期12卷 1637-1645页

作者： Zitao Guo Dalong Yi Bo Hu lingyu zhu Ji Zhang Yuliang Yang Chunyu Liu Yi Shi Zhenghua Gu Yu Xin Huaigao Liu Liang Zhang National Engineering Research Center of Cereal Fermentation and Food Biomanufacturing Jiangnan UniversityWuxi 214122China Jiangsu Provincial Research Center for Bioactive Product Processing Technology Jiangnan UniversityWuxi 214122China Anhui Guotai Biotechnology Co. LtdXuancheng 242100China National Engineering Research Center for Functional Food Jiangnan UniversityWuxi 214122China

In this study, yak bone collagen hydrolysate(YBCH)was produced by mixed proteases and provided to standard-diet mice at a different dose(low dose(LD), medium dose(MD), and high dose(HD))to investigate its effects on the composition of gut microbiota and short-chain fatty acids(SCFA)production. It was found that YBCH was mainly composed of small molecular peptides whose molecular weight below 2 000 Da. Notably, supplementation with different doses of YBCH could significantly downregulate the ratio of Firmicutes to Bacteroidetes in the fecal microbiota. At the family level, the Lachnospiraceae abundance was significantly reduced in the YBCH gavage groups(mean reduction ratio 41.7 %, 35.2%, and 36.4% for LD, MD, and HD group, respectively). The predicted functions of gut microbes in the MD group were significantly increased at “lipid metabolism” and “glycan biosynthesis and metabolism”. Moreover, the SCFA production in the YBCH groups was elevated. Especially, the concentration of acetic acid, propionic acid, and butyric acid in the MD group was separately increased 79.7%, 89.2%, and 78.8% than that in the NC group. These results indicated that YBCH might be applied in the development of functional food for intestinal microecological regulation.

关键词： Yak bone collagen hydrolysate Peptides Gut microbiota Short-chain fatty acid Lachnospiraceae

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Yak bone collagen-derived anti-inflammatory bioactive peptides alleviate lipopolysaccharide-induced inflammatory by inhibiting the NF-κB signaling pathway and nitric oxide production

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Food Bioscience 2023年第2期52卷 825-833页

作者： Yuliang Yang lingyu zhu Zitao Guo Chunyu Liu Bo Hu Moying Li Zhenghua Gu Yu Xin Haiyan Sun Yanming Guan Liang Zhang National Engineering Research Center for Cereal Fermentation and Food Biomanufacturing Jiangnan UniversityWuxi214122China Jiangsu Provincial Research Center for Bioactive Product Processing Technology Jiangnan UniversityWuxi214122China National Engineering Research Center for Functional Food Jiangnan UniversityWuxi214122China Hainan Key Laboratory of Tropical Microbe Resources Institute of Tropical Bioscience and BiotechnologyChinese Academy of Tropical Agricultural SciencesHaikou571101China China National Research Institute of Food and Fermentation Industries Co. Ltd.Beijing100015China

Anti-inflammatory peptides that derived from food attract more and more attention due to their wide range of sources and easy *** this study,the aim was to identify and characterize anti-inflammatory peptides from yak bone *** prepared yak bone collagen peptides(YBCPs)was separated,purified and identified through ultrafiltration,reverse-phase high-performance liquid chromatography(RP-HPLC),and nano-liquid chromatography-tandem mass spectrometry(nano LC-MS/MS)***,a total of 115 peptides were *** that,12 peptides were screened out based on the predicted biological activity *** docking results indicated that 6 peptides(GPAGPSGPAGK,GPAGPSGPAGKDGR,GPSGPQGIR,GPAGPQGPR,GEAGPAGPAGPAGPR,and GEGGPQGPR)could successfully interact with the key factors in the nuclear factor kappa-B(NF-κB)signaling pathway and nitric oxide(NO)production due to form various bonds such as salt bridge,conventional hydrogen bond,and carbon-hydrogen *** anti-inflammatory effects of these 6 peptides were further verified by in vitro cell *** indicated that the 6 peptides might play an anti-inflammatory role by regulating different proteins in the NF-κB signaling pathway and NO *** study would further promote the application of yak bone collagen in health food.

关键词： Yak bone collagen Anti-inflammatory peptides Separation and purification In silico analysis Western blot

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热耦合空分流程变负荷特性分析与模拟方法

化工学报 2011年第8期62卷 2232-2237页

作者：祝铃钰周立芳钱积新浙江工业大学化学工程与材料学院浙江杭州310014 浙江大学控制系浙江杭州310027

针对管网升压事件讨论低温空分三塔精馏热耦合流程的变负荷操作模拟问题。分析认为,此大规模变负荷问题的求解难点在于耦合流程操作变量的微小变化引起了精馏塔浓度波形的大幅度移动,某些变量在微小步长上产生数量级的变化,基于牛顿法... 详细信息

针对管网升压事件讨论低温空分三塔精馏热耦合流程的变负荷操作模拟问题。分析认为,此大规模变负荷问题的求解难点在于耦合流程操作变量的微小变化引起了精馏塔浓度波形的大幅度移动,某些变量在微小步长上产生数量级的变化,基于牛顿法及其改进算法的数值计算方法在梯度计算中难以获得正确的下降方向,导致收敛困难。利用工况变量构造同伦参数并采用回溯同伦法(HBM)进行自动搜索,可以有效解决考虑耦合换热器换热面积计算的变负荷问题,能够描述因粗氩塔顶换热温差减小引起的'氮塞'现象,对过程控制更有指导意义。

关键词：耦合回溯同伦空分流程模拟

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基于过程数据的空分系统参数估计

计算机与应用化学 2010年第1期27卷 55-58页

作者：李大刚祝铃钰浙江工业大学化学工程与材料学院浙江杭州310014

根据空分系统模型特点确定模拟计算中待估计参数,包含热力学参数以及设备参数。文献中通常采用常规浓度的实验气液平衡数据回归热力学参数,由于实验浓度达不到高纯度范围,热力学参数用于高纯度体系模拟时误差较大,故采用过程数据估计。... 详细信息

根据空分系统模型特点确定模拟计算中待估计参数,包含热力学参数以及设备参数。文献中通常采用常规浓度的实验气液平衡数据回归热力学参数,由于实验浓度达不到高纯度范围,热力学参数用于高纯度体系模拟时误差较大,故采用过程数据估计。考虑到待估参数较多,提出了通过分析参数全局灵敏度来判断关键参数,以减小参数估计的规模,估计参数由原来的10个减少到2个关键参数。基于过程数据采用最小二乘法对关键参数进行参数估计。将优化后的关键参数值应用于模拟计算,计算结果与5个实际工况测量值进行对比,可以看出模拟结果与实际工况吻合较好;将优化热力学参数代入热力学方程进行相平衡计算,并与实验气液平衡数据以及未优化的参数计算的结果进行比较,优化后参数的计算结果更加逼近于实验相平衡数据。

关键词：空气分离模拟参数估计灵敏度分析优化

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针对串联直流电弧的电容电流时频检测方法

西安交通大学学报 2018年第12期52卷 152-158,166页

作者：刘小军熊庆汲胜昌祝令瑜西安交通大学电力设备电气绝缘国家重点实验室西安710049

针对串联型直流电弧故障产生时伴随着高频分量,提出了一种基于并联电容电流时频特性的串联直流电弧故障检测方法。搭建了直流电弧试验平台,测量流过直流源内部滤波电容支路的电流,检测电容电流中随电弧故障产生的高频电流。在PSCAD/EMTD... 详细信息

针对串联型直流电弧故障产生时伴随着高频分量,提出了一种基于并联电容电流时频特性的串联直流电弧故障检测方法。搭建了直流电弧试验平台,测量流过直流源内部滤波电容支路的电流,检测电容电流中随电弧故障产生的高频电流。在PSCAD/EMTDC软件中建立电弧检测仿真模型,利用Nottingham公式将直流电弧等效为非线性电阻。在仿真平台中对串联电弧产生时的并联电容电流时频特性进行分析,结果表明,串联电弧产生时,并联电容电流出现突变,电容电流频谱中5～50kHz频带范围内的积分值增加。对不同回路电流、电极材料等工况时的并联电容电流进行试验,研究发现,电容电流变化率与回路电流成正比,与电极材料沸点成反比;而电容电流频谱积分差值与回路电流成正比,与电极材料沸点成正比。

关键词：串联直流电弧电流变化率时频域分析低压直流系统

基于冲击放电试验的电力电容器外壳振动预估方法

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电工技术学报 2014年第11期29卷 239-246页

作者：祝令瑜汲胜昌沈琪刘源刘浩西安交通大学电气工程学院电力设备电气绝缘国家重点实验室西安710049 绍兴电力局绍兴312000

高压直流换流站中电容器装置辐射噪声水平高,需要对其进行振动和噪声的预估。本文关注电容器外壳振动的预估,基于机电联合频响函数系统地提出了一种新型的电容器外壳振动预估方法。机电联合频响函数定义为电容器外壳振动速度与电容器激... 详细信息

高压直流换流站中电容器装置辐射噪声水平高,需要对其进行振动和噪声的预估。本文关注电容器外壳振动的预估,基于机电联合频响函数系统地提出了一种新型的电容器外壳振动预估方法。机电联合频响函数定义为电容器外壳振动速度与电容器激励电压平方的频域比,可以由冲击放电试验获取。在给定的激励条件下,电容器外壳的振动速度等于机电联合频响函数与激励电压平方的频域乘积。本文比较了两种相同激励条件下电容器外壳振动预估结果与实测结果,说明了本文所提的电容器外壳振动预估方法可行准确。

关键词：电力电容器冲击放电试验振动预估频响函数

低压直流系统故障电弧特性、检测和定位方法研究进展综述

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中国电机工程学报 2020年第18期40卷 6015-6026页

作者：熊庆陈维江汲胜昌祝令瑜西安交通大学电力设备电气绝缘国家重点实验室陕西省西安市710049 国家电网有限公司北京市西城区100031

低压直流系统的应用范围逐步扩大,直流电弧故障成为影响直流系统安全运行日益突出的问题。直流电弧不存在电流过零点,串联型电弧在原有回路中引入非线性电阻,而使回路电流减小。因此,串联型电弧故障较并联型电弧故障更难以检测。该文对... 详细信息

低压直流系统的应用范围逐步扩大,直流电弧故障成为影响直流系统安全运行日益突出的问题。直流电弧不存在电流过零点,串联型电弧在原有回路中引入非线性电阻,而使回路电流减小。因此,串联型电弧故障较并联型电弧故障更难以检测。该文对直流故障电弧的国内外研究现状进行总结,从伏安特性和高频特性两个方面介绍直流故障电弧的特性,指出直流电弧特性研究中的不足;进而将直流电弧故障的检测和定位方法划分为基于辐射特性、基于电压和电流时频域阈值,以及模式识别的方法,分别阐述各类检测和定位方法的优缺点以及适用条件,指出故障检测和定位的难点,并对未来研究方向进行展望。

关键词：低压直流系统光伏发电系统串联型电弧故障检测故障定位