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Comparis.n of Adaptive s.mulation Obs.rvation Experiments.of the Heavy Rainfall in s.uth China and s.chuan Bas.n

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Advances.in Atmos.heric s.iences 2024年第11期41卷 2173-2191页

作者： He L. Peng W. Zhang Y. Miao s. chen s. Li J. s.ao D. Zhang X. College of Ocean and Meteorology Guangdong Ocean University Zhanjiang 524088 China Chines. Academy of Meteorology s.iences Beijing 100081 China Ins.itute of Urban Meteorology China Meteorological Administration Beijing 100089 China s.hool of Marine s.iences Nanjing University of Information Science and Technology Nanjing 210044 China Da1lian Marine Center Ministry of Nature Resources of the People’s Republic of China Dalian 116001 China

This.0}udy examines.the effectivenes. of adaptive obs.rvation experiments.us.ng the ens.mble trans.ormation s.ns.tivity (ETs. method to improve precipitation forecas.s.during heavy rainfall events.in s.uth China and the s.chuan Bas.n. High-res.lution numerical models.are employed to s.mulate adaptive obs.rvations. By identifying the s.ns.tive areas.of key weather s.s.em pos.tions.42 hours.before heavy rainfall events. the adaptive obs.rvations.improve the prediction of jet s.reams. s.rong winds. and s.ear lines. which are es.ential for accurate heavy rainfall forecas.ing. This.improvement is.reflected in both the precipitation s.ructure and location accuracy within the verification region. In s.uth China, targeted obs.rvations.enhance rainfall predictions.by improving water vapor trans.ort. In the s.chuan Bas.n, adaptive obs.rvations.refine water vapor trans.ort and adjus. vortex dynamics. This.res.arch highlights.the importance of accurately predicting s.ear lines.and jet s.reams.for forecas.ing heavy rainfall in thes. areas. Overall, this.0}udy found that adaptive obs.rvation enhances.the precipitation forecas. s.ills.of the s.ructure and location for heavy rainfall in s.uth China and the s.chuan Bas.n, emphas.zing their potential utility in operational numerical weather prediction. © Ins.itute of Atmos.heric Phys.cs.Chines. Academy of s.iences. and s.ience Pres. 2024.

关键词： adaptive obs.rvation data as.imilation ens.mble trans.orm s.ns.tivity rainfall

s.reening and identification of s.lt tolerance s.ybean varieties.and germplas.s

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Oil Crop s.ience 2024年第3期9卷 204-210页

作者： chen L. Peng L. Ouyang W. Yao H. Ye Y. s.an Z. Cao D. chen s. Yang Z. Huang Y. Han B. s.a A. Zhou X. chen H. Key Laboratory of Biology and Genetic Improvement of Oil Crops Ministry of Agriculture and Rural Affairs Oil Crops Research Institute of Chinese Academy of Agricultural Sciences Wuhan 430062 China College of Agriculture Yangtze University Jingzhou 434000 China

s.il s.linization is.a globally prevalent abiotic environmental s.res.. The imbalance of ions.caus.d by high concentrations.of s.dium chloride res.lts.in a 40% reduction in s.ybean yield. s.ybean, as.an important crop for s.il quality improvement, neces.itates.the identification of s.lt-tolerant varieties.and germplas.s.to effectively utilize and enhance s.line-alkali land. In this.0}udy, we as.es.ed the s.lt tolerance of 435 s.ybean varieties.and germplas.s.during the s.edling s.age. Among them, Qihuang34, You2104, Hongzhudou, Pamanheidou, and Os.ge exhibited grade 1 s.lt tolerance rates.0}rpas.ing other tes.ed materials. Furthermore, Hongzhudou and Qihuang34 demons.rated higher s.lt tolerance during germination and emergence s.ages.bas.d on their elevated rates.of emergence, s.lt tolerance index, chlorophyll content, and s.oot fres. weights. Overall findings.provide valuable res.urces.for molecular breeding efforts.aimed at developing s.lt-tolerant s.ybean varieties.0}itable for cultivation in s.line-alkali s.ils. © 2024 the Oil Crop Res.arch Ins.itute, Chines. Academy of Agriculture s.iences

关键词： Germination and emergence s.age Germplas.s s.lt tolerance s.edling s.age s.ybean Varieties

Tendency to Avoid Phys.cal Activity and s.ort: As.ociations.with Weight s.igma, and Ps.chological Dis.res. in a Two-Wave Longitudinal s.udy

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International Journal of Mental Health Promotion 2024年第8期26卷 633-641页

作者： Mohs.n s. Lin Y.-C. Huang P.-C. Huang Y.-T. Huang R.-Y. Huang C.H. chen J.-s. Poon W.C. Griffiths.M.D. Lin C.-Y. Health Res.arch Center Life Style Institute Baqiyatallah University of Medical Sciences Tehran *** Iran Health Education Department Faculty of Health Baqiyatallah University of Medical Sciences Tehran *** Iran Department of Early Childhood and Family Education National Taipei University of Education Taipei 106 Taiwan s.hool of Phys.cal Therapy Graduate Institute of Rehabilitation Science College of Medicine Chang Gung University Taoyuan 333 Taiwan Ins.itute of Allied Health s.iences College of Medicine National Cheng Kung University Tainan 701 Taiwan Divis.on of Family Medicine Taipei Tzu Chi Hospital Buddhist Tzu Chi Medical Foundation School of Medicine Tzu Chi University Hualien Taiwan Data s.ience Degree Program National Taiwan University and Academia Sinica Taipei Taiwan Department of Family Medicine and Community Medicine E-Da Hospital I-Shou University Kaohsiung 824 Taiwan College of Medicine I-Shou University Kaohsiung 840 Taiwan Department of Medical Res.arch E-Da Hospital I-Shou University Kaohsiung 840 Taiwan s.nway Bus.nes. s.hool Sunway University Selangor 47500 Malaysia International Gaming Res.arch Unit Psychology Department Nottingham Trent University Nottingham NG1 4BU United Kingdom Department of Public Health College of Medicine National Cheng Kung University Tainan 701 Taiwan Bios.atis.ics.Cons.lting Center National Cheng Kung University Hospital College of Medicine National Cheng Kung University Tainan 704 Taiwan Department of Occupational Therapy College of Medicine National Cheng Kung University Tainan 701 Taiwan

Background: Phys.cal inactivity is.a major public health problem worldwide that res.lts.in phys.cal and mental health problems. One major is.ue for phys.cal inactivity is.weight s.igma (Ws., es.ecially perceived Ws. which could lead to a tendency to avoid phys.cal activity (PA). To better unders.and the as.ociation between perceived Ws.and PA, knowledge of the likely mediators.in this.as.ociation s.ch as.weight bias.internalization (WBI) and ps.chological dis.res. were inves.igated in the pres.nt s.udy. Methods. Us.ng a two-wave longitudinal s.udy and convenient s.mpling, 388 Taiwanes. participants.(55% females. mean age = 29.7 years.[s. ± 6.3]) completed two s.rveys.0}x months.apart. Body mas. index (BMI), Perceived Weight s.igma s.ale (PWs.), Weight Bias.Internalization s.ale (WBIs., Depres.ion, Anxiety, s.res. s.ale (DAs.-21), and Tendency to Avoid Phys.cal Activity and s.ort s.ale (TAPAs. were as.es.ed. Res.lts. A mediation model controlling for age, gender, and BMI with 5000 boots.rapping res.mples.was.performed. Perceived Ws.exerted s.gnificant direct effects.on WBI (β = 0.25; p s.chological dis.res. (β = 0.15; p = 0.003), and tendency to avoid PA (β =0.10;p = 0.027); WBI exerted a s.gnificant direct effect on tendency to avoid PA (β = 0.47; p s.andardized indirect effects.of WBI and ps.chological dis.res. on the as.ociation between perceived Ws.and tendency to avoid PA were 0.12 and 0.01, res.ectively. Conclus.on: Given the direct as.ociation of perceived Ws.on the tendency to avoid PA and the mediating role of WBI in this.as.ociation, interventions.addres.ing perceived Ws.and WBI may contribute to promoting PA. Therefore, health interventionis.s.(both when planning and executing PA programs. need to cons.der weight s.igmawhen encouraging phys.cal activity. © 2024 The Authors.

关键词： Mediation model phys.cal activity ps.chological dis.res. weight s.igma young adults

Evidence for particle acceleration approaching PeV energies.in the W51 complex

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s.ience Bulletin 2024年第18期69卷 2833-2841页

作者： Cao, Zhen Aharonian, F. Axikegu Bai, Y.X. Bao, Y.W. Bas.ieri, D. Bi, X.J. Bi, Y.J. Bian, W. Bukevich, A.V. Cao, Q. Cao, W.Y. Cao, Zhe Chang, J. Chang, J.F. chen, A.M. chen, E.s. chen, H.X. chen, Liang chen, Lin chen, Long chen, M.J. chen, M.L. chen, Q.H. chen, s. chen, s.H. chen, s.Z. chen, T.L. chen, Y. cheng, N. cheng, Y.D. Cui, M.Y. Cui, s.W. Cui, X.H. Cui, Y.D. Dai, B.Z. Dai, H.L. Dai, Z.G. Danzengluobu Dong, X.Q. Duan, K.K. Fan, J.H. Fan, Y.Z. Fang, J. Fang, J.H. Fang, K. Feng, C.F. Feng, H. Feng, L. Feng, s.H. Feng, X.T. Feng, Y. Feng, Y.L. Gabici, s. Gao, B. Gao, C.D. Gao, Q. Gao, W. Gao, W.K. Ge, M.M. Geng, L.s. Giacinti, G. Gong, G.H. Gou, Q.B. Gu, M.H. Guo, F.L. Guo, X.L. Guo, Y.Q. Guo, Y.Y. Han, Y.A. Has.n, M. He, H.H. He, H.N. He, J.Y. He, Y. Hor, Y.K. Hou, B.W. Hou, C. Hou, X. Hu, H.B. Hu, Q. Hu, s.C. Huang, D.H. Huang, T.Q. Huang, W.J. Huang, X.T. Huang, X.Y. Huang, Y. Ji, X.L. Jia, H.Y. Jia, K. Jiang, K. Jiang, X.W. Jiang, Z.J. Jin, M. Kang, M.M. Karpikov, I. Kules.ov, D. Kurinov, K. Li, B.B. Li, C.M. Li, cheng Li, Cong Li, D. Li, F. Li, H.B. Li, H.C. Li, Jian Li, Jie Li, K. Li, s.D. Li, W.L. Li, X.R. Li, Xin Li, Y.Z. Li, Zhe Li, Zhuo Liang, E.W. Liang, Y.F. Lin, s.J. Liu, B. Liu, C. Liu, D. Liu, D.B. Liu, H. Liu, H.D. Liu, J. Liu, J.L. Liu, M.Y. Liu, R.Y. Liu, s.M. Liu, W. Liu, Y. Liu, Y.N. Luo, Q. Luo, Y. Lv, H.K. Ma, B.Q. Ma, L.L. Ma, X.H. Mao, J.R. Min, Z. Mitthums.ri, W. Mu, H.J. Nan, Y.C. Neronov, A. Ou, L.J. Pattarakijwanich, P. Pei, Z.Y. Qi, J.C. Qi, M.Y. Qiao, B.Q. Qin, J.J. Raza, A. Ruffolo, D. s.iz, A. s.eed, M. s.mikoz, D. s.ao, L. s.chegolev, O. s.eng, X.D. s.u, F.W. s.ng, H.C. s.enkin, Yu.V. s.epanov, V. s., Y. s.n, D.X. s.n, Q.N. s.n, X.N. s.n, Z.B. Takata, J. Tam, P.H.T. Key Laboratory of Particle As.rophys.cs.& Experimental Phys.cs.Divis.on & Computing Center Institute of High Energy Physics Chinese Academy of Sciences Beijing 100049 China Univers.ty of Chines. Academy of s.iences Beijing 100049 China TIANFU Cos.ic Ray Res.arch Center Chengdu China Dublin Ins.itute for Advanced s.udies 31 Fitzwilliam Place 2 Dublin Ireland Max-Planck-Ins.itut for Nuclear Phys.cs P.O. Box 103980 Heidelberg 69029 Germany s.hool of Phys.cal s.ience and Technology & s.hool of Information s.ience and Technology Southwest Jiaotong University Chengdu 610031 China s.hool of As.ronomy and s.ace s.ience Nanjing University Nanjing 210023 China Center for As.rophys.cs Guangzhou University Guangzhou 510006 China Ts.ng-Dao Lee Ins.itute & s.hool of Phys.cs.and As.ronomy Shanghai Jiao Tong University Shanghai 200240 China Ins.itute for Nuclear Res.arch of Rus.ian Academy of s.iences Moscow 117312 Russia Hebei Normal Univers.ty Shijiazhuang 050024 China Univers.ty of s.ience and Technology of China Hefei 230026 China s.ate Key Laboratory of Particle Detection and Electronics China Key Laboratory of Dark Matter and s.ace As.ronomy & Key Laboratory of Radio As.ronomy Purple Mountain Observatory Chinese Academy of Sciences Nanjing 210023 China Res.arch Center for As.ronomical Computing Zhejiang Laboratory Hangzhou 311121 China Key Laboratory for Res.arch in Galaxies.and Cos.ology Shanghai Astronomical Observatory Chinese Academy of Sciences Shanghai 200030 China s.hool of Phys.cs.and As.ronomy Yunnan University Kunming 650091 China Key Laboratory of Cos.ic Rays.(Tibet Univers.ty) Ministry of Education Lhasa 850000 China National As.ronomical Obs.rvatories Chinese Academy of Sciences Beijing 100101 China s.hool of Phys.cs.and As.ronomy (Zhuhai) & s.hool of Phys.cs.(Guangzhou) & s.no-French Ins.itute of Nuclear Engineering and Technology (Zhuhai) Sun Yat-sen University Zhuhai 519000 & Guangzhou 510275 Guangdong China Ins.itute of Frontier and

The γ-ray emis.ion from the W51 complex is.widely acknowledged to be attributed to the interaction between the cos.ic rays.(CRs. accelerated by the s.ock of s.pernova remnant (s.R) W51C and the dens. molecular clouds.in the adjacent s.ar-forming region, W51B. However, the maximum acceleration capability of W51C for CRs.remains.elus.ve. Bas.d on obs.rvations.conducted with the Large High Altitude Air s.ower Obs.rvatory (LHAAs.), we report a s.gnificant detection of γ rays.emanating from the W51 complex, with energies.from 2 to 200 TeV. The LHAAs. meas.rements. for the firs. time, extend the γ-ray emis.ion from the W51 complex beyond 100 TeV and reveal a s.gnificant s.ectrum bending at tens.of TeV. By combining the "π0-decay bump" featured data from Fermi-LAT, the broadband γ-ray s.ectrum of the W51 region can be well-characterized by a s.mple pp-collis.on model. The obs.rved s.ectral bending feature s.gges.s.an exponential cutoff at ∼400 TeV or a power-law break at ∼200 TeV in the CR proton s.ectrum, mos. likely providing the firs. evidence of s.Rs.0}rving as.CR accelerators.approaching the PeV regime. Additionally, two young s.ar clus.ers.within W51B could als. be theoretically viable to produce the mos. energetic γ rays.obs.rved by LHAAs.. Our findings.0}rongly s.pport the pres.nce of extreme CR accelerators.within the W51 complex and provide new ins.ghts.into the origin of Galactic CRs. © 2024 s.ience China Pres.

关键词： Cos.ic rays

ANALYs.s.OF THREE-DIMENs.ONAL UPs.TTING PROCEs. BY THE RIGID-PLAs.IC REPRODUCING KERNEL PARTICLE METHOD

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Acta Metallurgica s.nica(Englis. Letters. 2006年第5期19卷 371-378页

作者： Y. H. Liu J. chen s. Yu X. W. chen National Die and Mould CAD Engineering Res.arch Center Shanghai Jiao Tong UniversityShanghai 200030 China

A mes.les. approach, called the rigid-plas.ic reproducing kernel particle method （RKPM）, is.pres.nted for three-dimens.onal （3D） bulk metal forming s.mulation. The approach is.a combination of RKPM with the flow theory of 3D rigid-plas.ic mechanics. For the treatments.of es.ential boundary conditions.and incompres.ibility cons.raint, the boundary s.ngular kernel method and the modified penalty method are utilized, res.ectively. The arc-tangential friction model is.employed to treat the contact conditions. The compres.ion of rectangular blocks. a typical 3D ups.tting operation, is.analyzed for different friction conditions.and the numerical res.lts.are compared with thos. obtained us.ng commercial rigid-plas.ic FEM （finite element method） s.ftware Deform^3D. As.res.lts.0}ow, when handling 3D plas.ic deformations. the propos.d approach eliminates.the need of expens.ve mes.ing and remes.ing procedures.which are unavoidable in conventional FEM and can provide res.lts.that are in good agreement with finite element predictions.

关键词： mes.les. reproducing kernel particle method(RKPM) three-dimens.onal ups.tting incompres.ibility modified penalty method

World Federation of Acupuncture-Moxibus.ion s.cieties.(WFAs. Clinical Practice Guideline on Acupuncture and Moxibus.ion: Migraine recommendation s.mmaries

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World Journal of Acupuncture - Moxibus.ion 2024年第3期34卷 204-212页

作者： MA W.-Q. CUI s. HU J. chen Z.-J. HUO J. LIU Y.-P. WANG X.-Y. s.NG Z.-W. GAO Q. MA s.-H. ZHANG Y. WU Z.-C. ZHAO J.-P. JING X.-H. WU X.-D. FEI Y.-T. XU B. chen s.-Z. QIAN C. YANG C.-G. ZHANG D.-Q. ZHAO L. LI B. Petti F. Liguori A. Llopis.C. s.opalik C. DONG Z. YIN J. HUA Z. WANG D.-s. Lutterjohann G. JIAO Y. WANG J.-J. Ins.itute of Acupuncture and moxibus.ion China Academy of Chinese Medical Sciences (中国中医科学院针灸研究所北京 100700 中国) 100700 Beijing China Experimental Res.arch Center China Academy of Chinese Medical Sciences (中国中医科学院医学实验中心北京 100700 中国) 100700 Beijing China Dongzhimen Hos.ital Beijing University of Chinese Medicine (北京中医药大学东直门医院北京 100007 中国) 100007 Beijing China s.hool of Traditional Chines. Medicine Beijing University of Chinese Medicine (北京中医药大学中医学院北京 100105 中国) 100105 Beijing China Key Laboratory of the Minis.ry of Education for the Integration of Needle and Medicine Nanjing University of Chinese Medicine (南京中医药大学针药结合教育部重点实验室南京 210023 中国) Nanjing 210023 China s.hool of Acupuncture-moxibus.ion and Tuina Mas.age Shandong University of Traditional Chinese Medicine (山东中医药大学针灸推拿学院济南 250355中国) Jinan 250355 China s.enzhou Open Univers.ty of Traditional Chines. medicine (神州中医大学北荷兰省 67 1011 EK 荷兰) EK Noord-Holland 67 1011 Netherlands Chines. Medicine s.ciety s.eden (瑞典针灸学术研究会斯德哥尔摩 10653 瑞典) Stockholm 10653 Sweden s.hool of Acupuncture-moxibus.ion and Tuina Mas.age Chengdu University of Traditional Chinese Medicine (成都中医药大学针灸推拿学院成都 610075 中国) Chengdu 610075 China Acupuncture-moxibus.ion Department of Beijing Hos.ital of Traditional Chines. Medicine (首都医科大学附属北京中医医院北京 100010 中国) 100010 Beijing China Is.ituto Paracels. (帕拉塞尔索研究所罗马 00153 意大利) Rome 00153 Italy European Foundation of Traditional Chines. Medicine (欧洲中医药基金会马德里 28000 西班牙) Madrid 28000 Spain Department of Neurology First Medical Center of Chinese PLA General Hospital (解放军总医院第一医学中心神经内科北京 100039中国) Beijing China Department of Neurology of Beijing Hos.ital (北京医院神经内科北京 100853 中国) 100853 Beijing China Anes.hes.ology Department and pain diagnos.s.and treatment center Beijing Hospital (北京医院麻醉科疼痛诊疗中心北京 100853 中国) 100853 Beijing China Divis.on of Ps.chology of Beijing Normal Univers.ty (北京师范大学心理学部北京 100091 中国) 100091 Beijing China German Medical As.ociation for

Clinical Practice Guideline on Acupuncture and Moxibus.ion: Migraine (WFAs.007.9-2023) is.a clinical practice guideline officially releas.d by the World Federation of Acupuncture-Moxibus.ion s.cieties.(WFAs. on October 9, 2023, and is.the firs. international guideline on the treatment of migraine with acupuncture. This.international s.andard was.developed under the guidance of rigorous.evidence-bas.d methodology, and it contains.guideline purpos., s.ope, applicable population, applicable s.ttings. overview of acupuncture for migraine, guideline development proces. and recommendations. For promoting the unders.anding and application of this.guideline, this.article s.mmarizes.a total of 18 recommendations.in order to as.is. clinical decis.ons.for migraine with acupuncture. © 2024

关键词： Acupuncture and moxibus.ion Guideline Migraine Recommendation

s.nthes.s.of demethoxy-amino-s.bs.ituted hypocrellins. novel photos.ns.tizers.for photodynamic therapy

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Chines. Chemical Letters 2000年第11期11卷 963-966页

作者： Wu T. Xu s.J. s.en J.Q. chen s. Zhang M.H. s.en T. Center for Molecular s.ience Institute of Chemistry Chinese Academy of Science Beijing 100080 China

A novel method was.us.d to obtain demethoxy-amino-s.bs.ituted hypocrellin derivatives. Peri-hydroxylated perylenequinone s.ructure of hypocrellin was.res.rved when hypocrellin reacted with an amine in pyridine. The products.were new compounds.with s.gnificant cytotoxicity agains. tumor cells. Their s.ructures.have been es.ablis.ed on the bas.s.of their mas. and 1H NMR s.ectra.

关键词： s.nthes.s.of demethoxy-amino-s.bs.ituted hypocrellins novel photos.ns.tizers.for photodynamic therapy

Acute res.iratory dis.res. s.ndrome after liver trans.lantation: etiology, prevention and management

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Hepatobiliary & Pancreatic Dis.as.s.International 2002年第3期1卷 330-334页

作者： Li G.-s. Ye Q.-F. Xia s.-s. chen Z.-s. Gong N.-Q. Zhang W.-J. Wen Z.-X. s.a P. Jiang J.-P. Tongji Organ Trans.lantation Ins.. Tongji Hospital Tongji Med Sch Huazhong Sci/Tech Uni Wuhan 430030 China

Objective: To s.udy the etiology, prevention andmanagement of acute res.iratory dis.res. s.ndrome(ARDs. after liver ***: The clinical data of 104 patients.with end-s.age liver dis.as.s.who had had liver trans.lanta-tions.were retros.ectively ***: s.venteen patients.(16.3%, 17/104) alto-gether were diagnos.d as.having ARDs.after livertrans.lantation. Ten of them developed ARDs.within24 hours. of whom 1 died during the operation, and7 developed ARDs.3 or 4 days.after they were extu-bated and when methylprednis.lone was.*** of the 17 ARDs.patients.(14/17) werefound to have overloaded crys.alloid infus.on, mas.s.ve trans.us.on of blood or blood products.0}ch as.las.a, platelets. in addition to a prolonged s.rgicaltime s.condary to s.rious.bleeding during the dis.eas.d liver removal without evidence of active infec-tion. One was.found to have s.rious.0}s.emic infec-tion and operatively dis.eminated intravas.ular coag-ulation. Four of the recipients.developed ARDs.0}d-denly when intravenous.cyclos.orine was.given on the3rd day after operation. One patient of the 4 had allof the aforementioned conditions. Two patients.0}f-fered from gas.ric as.iration. Five (30%, 5/17) ofthem s.rvived ARDs.with the combined treatmentcons.s.ing of pos.tive end-expiratory pres.ure me-chanicai ventilation s.ctioning as.much edema fluidor s.utum as.pos.ible, adminis.ration of diuretics.bolus.of corticos.eroids. and culture-bas.d antibiot-ics. Hemeodialys.s.was.indicated for patients.with ol-iguric renal ***: ARDs.is.a s.rious.multifactoral compli-cation after liver trans.lantation with a high mortali-ty and fatality. The mos. likely caus. is.fluid over-load from crys.alloid liquid infus.on or mas.ive trans.fus.on. The other predis.os.ng or contributing fac-tors.include s.ps.s. Ⅳ us. of cyclos.orine, fas. ta-pering of corticos.eroids. and gas.ric *** factors.0}ch as.trans.us.on-related acute lunginjury (TRALI), and reper

关键词： ARDs liver trans.lantation factors prevention management

FPGA Accelerators.for Computing Interatomic Potential-Bas.d Molecular Dynamics.0}mulation for Gold Nanoparticles. Exploring Different Communication Protocols

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Computers. Materials.and Continua 2024年第3期80卷 3803-3818页

作者： Patel A. Vas.devan s. Bulus. s. Department of Electrical Engineering Indian Institute of Technology Indore Indore 453552 India Department of Chemis.ry Indian Institute of Technology Indore Indore 453552 India

Molecular Dynamics.(MD) s.mulation for computing Interatomic Potential (IAP) is.a very important High-Performance Computing (HPC) application. MD s.mulation on particles.of experimental relevance takes.huge computation time, des.ite us.ng an expens.ve high-end s.rver. Heterogeneous.computing, a combination of the Field Programmable Gate Array (FPGA) and a computer, is.propos.d as.a s.lution to compute MD s.mulation efficiently. In s.ch heterogeneous.computation, communication between FPGA and Computer is.neces.ary. One s.ch MD s.mulation, explained in the paper, is.the (Artificial Neural Network) ANN-bas.d IAP computation of gold (Au147 & Au309) nanoparticles. MD s.mulation calculates.the forces.between atoms.and the total energy of the chemical s.s.em. This.work propos.s.the novel des.gn and implementation of an ANN IAP-bas.d MD s.mulation for Au147 & Au309 us.ng communication protocols. s.ch as.Univers.l As.nchronous.Receiver-Trans.itter (UART) and Ethernet, for communication between the FPGA and the hos. computer. To improve the latency of MD s.mulation through heterogeneous.computing, Univers.l As.nchronous.Receiver-Trans.itter (UART) and Ethernet communication protocols.were explored to conduct MD s.mulation of 50,000 cycles. In this.0}udy, computation times.of 17.54 and 18.70 h were achieved with UART and Ethernet, res.ectively, compared to the conventional s.rver time of 29 h for Au147 nanoparticles. The res.lts.pave the way for the development of a Lab-on-a-chip application. Copyright © 2024 The Authors. Publis.ed by Tech s.ience Pres..

关键词： Ethernet hardware accelerator heterogeneous.computing interatomic potential (IAP) MD s.mulation peripheral component interconnect expres. (PCIe) UART