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Advances of machine learning in materials science: Ideas and techniques

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Frontiers of physics 2024年第1期19卷 155-194页

作者： Sue sin Chong Yi Sheng Ng Hui-Qiong Wang Jin-Cheng Zheng Department of New Energy Science and Engineering Xiamen University MalaysiaSepang 43900Malaysia Engineering Research Center of Micro-nano Optoelectronic Materials and Devices Ministry of EducationFujian Key Laboratory of Semiconductor Materials and ApplicationsCI Center for OSEDand Department of PhysicsXiamen UniversityXiamen 361005China

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution, with large database and repositories appearing everywhere. Traditionally, materials science is a trial-and-error field, in both the computational and experimental departments. With the advent of machine learning-based techniques, there has been a paradigm shift: materials can now be screened quickly using ML models and even generated based on materials with similar properties;ML has also quietly infiltrated many sub-disciplinary under materials science. However, ML remains relatively new to the field and is expanding its wing quickly. There are a plethora of readily-available big data architectures and abundance of ML models and software;The call to integrate all these elements in a comprehensive research procedure is becoming an important direction of material science research. In this review, we attempt to provide an introduction and reference of ML to materials scientists, covering as much as possible the commonly used methods and applications, and discussing the future possibilities.

关键词： machine learning materials science

Large eddy simulation study of 3D wind field in a complex mountainous area under different boundary conditions

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2024年第7期25卷 541-556页

作者： yan LI Lei yan Xuhui HE School of Civil Engineering Central South UniversityChangsha410075China National Engineering Research Center for High-speed Railway Construction Changsha410075China Hunan Provincial Key Laboratory for Disaster Prevention and Mitigation of Rail Transit Engineering Structures Changsha410075China

Large eddy simulations generally are used to predict 3D wind field characteristics in complex mountainous *** simulation boundary conditions,such as the height and length of the computational domain or the characteristics of inflow turbulence,can significantly impact the quality of *** this study,we examined these boundary conditions within the context of the mountainous terrain around a long-span cable-stayed bridge using a wind tunnel *** sizes of computational domains and turbulent incoming wind velocities were used in large eddy *** results show that when the height of the computational domain is five times greater than the height of the terrain model,there is minimal influence from the top wall on the wind field characteristics in this complex mountainous *** the length of the wake region of the computational domain has negligible effects on the wind *** in the inlet boundary reduces the length of the wake region on a leeward hill with a low slope,but has less impact on the mean wind velocity of steep hills.

关键词： Large eddy simulation(LES) Spectral representation method Recycling method High mountainous canyon Wind characteristics Atmospheric boundary layer Computational domain

Towards Data-Driving Multi-View Evaluation Framework for Scratch

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Tsinghua Science and Technology 2024年第2期29卷 517-528页

作者： Xiaolin Chai yan Sun yan Gao Department of Computer Science Beijing University of Posts and TelecommunicationBeijing 100876China Intellectual Property Institute Shandong Polytechnic CollegeJining 272067China

As one of the most popular visual programming languages,Scratch has a lot of evaluation around *** evaluation can help programmers understand their projects *** the same time,it can also provide a reference for them to browse other projects in the online *** of the existing evaluations on Scratch are carried from three perspectives:Computational Thinking(CT)ability,visual presentation aesthetics,and code *** them,the assessment of CT and code quality is mainly carried out from the program script,while the evaluation of visual aesthetics is analyzed from the perspective of image sequences generated by project *** single-view evaluation focuses on the performance of a program in a certain aspect and is *** this paper,we propose a multi-view evaluation framework to integrate various evaluations using different *** quantitatively analyze the assessment of different views driven by *** with overall evaluations that represent human opinions,we analyze their differences and *** experiments,we determine the weights of different integration policies,the proposed multi-view evaluation method can generate evaluation results similar to human opinions.

关键词： Scratch Computational Thinking(CT) visual aesthetic static analysis integration policy machine learning

Forward to the Special Topic on“Solving Differential Equations with Deep Learning”

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Journal of Systems Science & Complexity 2024年第2期37卷 389-390页

作者： yan Zhenya Academy of Mathematics and Systems Science Chinese Academy of SciencesBeijing 100190China

The concept of artificial intelligence(AI)was first presented at the Dartmouth SummerResearch Project on AI hosted by McCarthy and Minsky in *** that,the developmentof AI has experienced ups and downs due to some limited conditions including intelligentcomputing techniques,computer and hardware and software^([1,2]).In particular,with the rapidof deep artificial neural networks,machine learning(ML)and deep learning(DL)techniques^([3,4])have been applied in many fields of science and engineering,including machine translation,image recognition,genomics,scientific computing and atmospheric science,etc^([5]).

关键词： has artificial hardware

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Modelling the water diversion of a sustainable cover system under humid climates

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第7期16卷 2429-2440页

作者： Haowen Guo Charles Wang wai Ng Qi Zhang Chuanxiang Qu Liwen Hu Shenzhen Research Institute of Hong Kong University of Science and Technology Shenzhen518057China Department of Civil and Environmental Engineering The Hong Kong University of Science and TechnologyHong Kong SAR999077China CCCC Fourth Harbor Engineering Institute Co. LtdGuangzhou510230China

Extreme rainfall significantly threatens the safety of the landfill cover system,especially under humid *** study aims to provide design recommendations for a sustainable landfill cover system consisting of a low-permeability soil layer underlying a two-layer capillary barrier for humid ***,the numerical back-analysis was conducted for verification against a series of flume model ***,a parametric study was performed to investigate the effects of inclination angle,particle size and layer thickness on the lateral diversion length(DL)of the three-layer cover system under the 100-year return period rainfall of humid *** results show that the water lateral DL of the cover system can be greatly enhanced by increasing the inclination angle from 3to 18.Moreover,the bottom layer of the cover system with a coarser d10 was more susceptible to the impact of the heavy rainfall,while this can be alleviated by increasing the thickness of the bottom layer.A dimensionless number,defined as the ratio of thickness and d10 of the bottom layer,is proposed for designing lateral diversion of the three-layer cover system under humid *** preserve the maximum DL,it is suggested that the proposed dimensionless number should be larger than 95 and 110 for the design of rainfall events with 50-year and 100-year return periods for humid climates,respectively.

关键词： Unsaturated soil Recycling Construction waste Three-layer landfill cover Water infiltration

Three-year field study on grass growth and soil hydrological properties in biochar-amended soil

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第7期16卷 2764-2774页

作者： Haowen Guo Charles Wang wai Ng Junjun Ni Qi Zhang Yuchen Wang Department of Civil and Environmental Engineering The Hong Kong University of Science and TechnologyHong KongChina School of Transportation Southeast UniversityNanjingChina

Field monitoring was conducted to investigate and quantify the long-term effects of peanut shell biochar on soil-grass interaction over three *** 10 m5 m grassed plots were constructed in completely decomposed granitic *** of them were amended,respectively,with 5%and 10%biochar contents(m3/m3)for grass growth,while the third was without biochar *** the threeyear monitoring,plant characteristics,saturated water permeability(ks)of grassed soil and soil suction were *** monitored results show that the grass leaf area index(LAI)and root length density(RLD)with biochar amendment were improved by 38%and 200%,*** the grassed plot without biochar,a threshold RLD existed with a value of 1.7 cm/cm3,beyond which ks raised *** threshold RLD increased by 52%when biochar content increased from 0%to 10%.This implies that biochar may restrict the increase in ks of grassed soil due to the rise in the threshold *** presence of biochar and grass can retain over 100%higher suction after heavy rainfalls,while 54%lower peak suction under evapotranspiration(ET)compared with the non-amended *** can alleviate the negative effects on hydraulic properties caused by plant growth and reduce ET-induced excessive water loss.A 5%peanut shell biochar content is recommended for the long-term management of vegetated earthen infrastructures.

关键词： Soil-grass interaction Biochar Long-term Water infiltration Soil drying

Proposal for valleytronic materials:Ferrovalley metal and valley gapless semiconductor

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Frontiers of physics 2024年第2期19卷 131-139页

作者： San-Dong Guo Yu-Ling Tao Guangzhao Wang Shaobo Chen Dong Huang Yee sin Ang School of Electronic Engineering Xi’an University of Posts and TelecommunicationsXi’an 710121China Key Laboratory of Extraordinary Bond Engineering and Advanced Materials Technology of Chongqing School of Electronic Information EngineeringYangtze Normal UniversityChongqing 408100China College of Electronic and Information Engineering Anshun UniversityAnshun 561000China Science Mathematics and Technology(SMT)Singapore University of Technology and Design(SUTD)8 Somapah RoadSingapore 487372Singapore

Valleytronic materials can provide new degrees of freedom to future electronic *** this work,the concepts of the ferrovalley metal(FVM)and valley gapless semiconductor(VGS)are proposed,which can be achieved in valleytronic bilayer systems by electric field *** valleytronic bilayer systems,the interaction between out-of-plane ferroelectricity and A-type antiferromagnetism can induce layer-polarized anomalous valley Hall(LP-AVH)*** K and−K valleys of FVM are both metallic,and electron and hole carriers simultaneously *** the extreme case,the FVM can become VGS by analogizing spin gapless semiconductor(SGS).Moreover,it is proposed that the valley splitting enhancement and valley polarization reversal can be achieved by electric field engineering in valleytronic bilayer *** the bilayer RuBr_(2)as an example,our proposal is confirmed by the first-principle *** FVM and VGS can be achieved in bilayer RuBr_(2)by applying electric *** appropriate electric field range,increasing electric field can enhance valley splitting,and the valley polarization can be reversed by flipping electric field *** effectively tune valley properties by electric field in bilayer systems,the parent monolayer should possess out-of-plane magnetization,and have large valley *** results shed light on the possible role of electric field in tuning valleytronic bilayer systems,and provide a way to design the ferrovalley-related material by electric field.

关键词： valleytronics electric field bilayer

Multi-environment BSA-seq using large F3 populations is able to achieve reliable QTL mapping with high power and resolution: An experimental demonstration in rice

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The Crop Journal 2024年第2期12卷 549-557页

作者： yan Zheng Ei Ei Khine Khin Mar Thi Ei Ei Nyein Likun Huang Lihui Lin Xiaofang Xie Min Htay wai Lin Khin Than Oo Myat Myat Moe San San Aye Weiren Wu College of Life Sciences Fujian Agriculture and Forestry UniversityFuzhou 350002FujianChina Fujian Provincial Key Laboratory of Crop Breeding by Design Fujian Agriculture and Forestry UniversityFuzhou 350002FujianChina Key Laboratory of Genetics Breeding and Multiple Utilization of CropsMinistry of EducationFujian Agriculture and Forestry UniversityFuzhou 350002FujianChina Department of Botany Mawlamyine UniversityMon StateMawlamyineMyanmar Department of Botany Dagon UniversityNorth DagonYangonMyanmar

Bulked-segregant analysis by deep sequencing(BSA-seq) is a widely used method for mapping QTL(quantitative trait loci) due to its simplicity, speed, cost-effectiveness, and efficiency. However, the ability of BSA-seq to detect QTL is often limited by inappropriate experimental designs, as evidenced by numerous practical studies. Most BSA-seq studies have utilized small to medium-sized populations, with F2populations being the most common choice. Nevertheless, theoretical studies have shown that using a large population with an appropriate pool size can significantly enhance the power and resolution of QTL detection in BSA-seq, with F_(3)populations offering notable advantages over F2populations. To provide an experimental demonstration, we tested the power of BSA-seq to identify QTL controlling days from sowing to heading(DTH) in a 7200-plant rice F_(3)population in two environments, with a pool size of approximately 500. Each experiment identified 34 QTL, an order of magnitude greater than reported in most BSA-seq experiments, of which 23 were detected in both experiments, with 17 of these located near41 previously reported QTL and eight cloned genes known to control DTH in rice. These results indicate that QTL mapping by BSA-seq in large F_(3)populations and multi-environment experiments can achieve high power, resolution, and reliability.

关键词： BSA-seq QTL mapping Large F3 population Multi-environment experiment Cross-validation

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从《类编南北经验医方大成》论元代南北医学融合

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文史哲 2024年第4期 70-78+166页

作者：范家伟香港城市大学中文及历史学系

元代孙允贤撰《医方大成》,之后经熊彦明增补而成《类编南北经验医方大成》。对于南宋金元经历一百五十多年分裂后南北医学文化重新融合的问题，过去学者多集中于金元北方医学南传所带来的影响，以及南方医者接受金元北方医学理论后对... 详细信息

元代孙允贤撰《医方大成》,之后经熊彦明增补而成《类编南北经验医方大成》。对于南宋金元经历一百五十多年分裂后南北医学文化重新融合的问题，过去学者多集中于金元北方医学南传所带来的影响，以及南方医者接受金元北方医学理论后对《局方》的批判，此为一个方面。《类编南北经验医方大成》所引方书，提供另一方面的了解，南方医者将南北医方融合一书之中，代表南方医者在接受金元北方医学传统时，也同时传承南宋以来南方医学传统。尽管金元医学四大家医学影响往后医学发展极为深远，但是南宋以来南方医学传统仍然在元明两代保存其活力，此却为学者忽略。

关键词：《类编南北经验医方大成》孙允贤熊彦明元代医学南北医学传统

来源：博看期刊