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mechanical and thermodynamical stability of BiVO4 polymorphs using first-principles study

Chinese Physics B 2017年第3期26卷 395-403页

作者： a k m farid ui islam md Nurul Huda Liton H m Tariqul islam md Al Helal md kamruzzaman Department of Computer Science and Engineering Begum Rokeya University Rangpur Rangpur-5400 Bangladesh Department of Physics Begum Rokeya University Rangpur Rangpur-5400 Bangladesh Department of Chemistry Begum Rokeya University Rangpur Rangpur-5400 Bangladesh Department of Physics and materials Science and Center of Super-Diamond and Advanced Films (COSDAF) City University of Hong Kong Hong Kong SAR China

First principles calculations of structural, electronic, mechanical, and thermodynamic properties of different poly- morphs of BiVO4 are performed using Bender-type plane/wave ultrasoft pseudopotentials within the generalized gradient approximation （GGA） in the flame of density functional theory （DFT）. The calculated structural and electronic properties are consistent with the previous theoretical and experimental results. The electronic structures reveal that m-BiVO4, op- BiVO4, and st-BiVO4 have indirect band gaps, on the other hand, zt-BiVO4 has a direct band gap. From the DOS and mulliken＇s charge analysis, it is observed that only m-BiVO4 has 6s2 Bi lone pair. Bond population analysis indicates that st-BiVO4 shows a more ionic nature and a similar result is obtained from the elastic properties. From the elastic prop- erties, it is observed that st-BiVO4 is more mechanically stable than the others, st-BiVO4 is more ductile and useful for high electro-optical and electro-mechanical coupling devices. Our calculated thermodynamic properties confirm the similar characteristics found from electronic and elastic properties, m-BiVO4 is useful as photocatalysts, solid state electrolyte, and electrode and other polymorphs are applicable in electronic device fabrications.

关键词： BiVO4 crystal structure lone pair mechanical stability

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Predicting grain size-dependent superplastic properties in friction stir processed Zk30 magnesium alloy with machine learning methods

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Journal of magnesium and Alloys 2024年第5期12卷 1931-1943页

作者： farid Bahari-Sambran Fernando Carreno C.m.Cepeda-Jiménez Alberto Orozco-Caballero Physical metallurgy Department CENIM-CSICAv.Gregorio del Amo 828040 MadridSpain Department of mechanical Engineering Chemistry and Industrial DesignPolytechnic University of MadridRonda de Valencia 328012MadridSpain

The aim of this work is to predict,for the first time,the high temperature flow stress dependency with the grain size and the underlaid deformation mechanism using two machine learning models,random forest(RF)and artificial neural network(ANN).With that purpose,a Zk30 magnesium alloy was friction stir processed(FSP)using three different severe conditions to obtain fine grain microstructures(with average grain sizes between 2 and 3μm)prone to extensive superplastic *** three friction stir processed samples clearly deformed by grain boundary sliding(GBS)deformation mechanism at high *** maximum elongations to failure,well over 400% at high strain rate of 10^(-2)s^(-1),were reached at 400℃ in the material with coarsest grain size of 2.8μm,and at 300℃ for the finest grain size of 2μ***,the superplastic response decreased at 350℃ and 400℃ due to thermal instabilities and grain coarsening,which makes it difficult to assess the operative deformation mechanism at such *** work highlights that the machine learning models considered,especially the ANN model with higher accuracy in predicting flow stress values,allow determining adequately the superplastic creep behavior including other possible grain size scenarios.

关键词： machine learning Artificial intelligence magnesium alloys Superplasticity Friction stir processing Grain coarsening

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The combined effects of farm yard manure and boron application on growth,and oil quality of Canola grown under newly reclaimed soils

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Oil Crop Science 2024年第1期9卷 53-59页

作者： farid Hellal Saied El Sayed Amany Abdel mohsen Ramadan Doaa m.Abobasha Plant Nutrition Department National Research Centre33 El-Behouth St12622DokkiCairoEgypt Botany Department National Research Centre33 El-Behouth St12622DokkiCairoEgypt

Two field experiments were conducted during the main seasons of 2021/2022 at the Research and Production Station of National Research Centre in Egypt to investigate the effects of farmyard manure(FYm)and boron on Canola growth,yield,oil yield,and *** results unequivocally demonstrated that the combined application of FYm at a rate of 14.4 ton ha^(-1)with a foliar spray of boron at 100 ppm positively influenced plant characteristics,leading to enhanced growth rates and higher yields compared to the control ***,this integrated approach significantly improved nutrient content by enhancing levels of oil content,carbohydrates,proteins,phenolics,flavonoids,and total soluble *** findings provide compelling evidence that utilizing farm manure along with boron can effectively enhance Canola properties in newly reclaimed soils while promoting sustainable agricultural practices.

关键词： Oil quality Farmyard manure Phytochemical content Canola Yield production

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An integrated computational method for calculating dynamic thermal bridges of building facades in tropical countries

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Frontiers of Architectural Research 2024年第1期13卷 201-218页

作者： miktha farid Alkadri muhammad Rafif Cahyadi Agung Francesco De Luca Research Cluster of Architectural Sciences and Building Technology Department of ArchitectureFaculty of EngineeringUniversitas IndonesiaDepok 16425Indonesia Department of Civil Engineering and Architecture Tallinn University of TechnologyTallinn 19086Estonia

Identifying thermal bridges on building façades has been a great challenge for architects,especially during the conceptual design *** is not only due to the complexity of parameters when calculating thermal bridges,but also lack of feature integration between building energy simulation(BES)tools and the actual building *** example,existing BES tools predominantly calculate thermal bridges only in steady state without considering the temperature dynamic behaviour of building ***,relevant features such as thermal delay,decrement factor,and operative temperature are often neglected,and this can lead to miscalculation of energy *** study then proposes an integrated method to calculate dynamic thermal bridges under transient conditions by incorporating field observations and computational simulations of thermal *** specifically,the proposed method employs several measurement tools such as HOBO data logger to record the actual conditions of indoor and outdoor room temperature and thermal cameras to identify the surface temperature of selected building *** actual datasets are then integrated with the simulation workflow developed in BES *** study ultimately enables architects not only to identify potential thermal bridges on existing building façades but also to support material and geometric exploration in early design phase.

关键词： Thermal bridges Dynamic calculation Thermal delay Cooling load Computational design method

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Analysis of cerium substitution in Co-Sr based spinel ferrites for high frequency application

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Journal of Rare Earths 2024年第9期42卷 1755-1763页

作者： Laura khudaysh Inas A.Ahmed Syeda Rabia Ejaz Sajjad Ahmad khan Yasir A.Haleem mohamed m.Ibrahim mahmood Ali Hafiz muhammad Tahir farid Zeinhom m.El-Bahy Department of Physics Faculty of ScienceJazan University Department of Chemistry Faculty of ScienceKing Khalid University Department of Physics The Government Sadiq College Women University Institute of Physics Khwaja Fareed University of Engineering and Information Technology Department of Chemistry College of ScienceTaif University Centre of Excellence in Solid State Physics University of the Punjab Department of Physics Government College Department of Chemistry Faculty of ScienceAl-Azhar University

Spinel ferrites exhibit exceptional magnetic properties,making them a distinctive class of magnetic *** sol-gel technique was utilized for the synthesis of spinel ferrites with the chemical formula Co0.6Sr0.4CexFe2-xO4. Following that,a comprehensive X-ray diffraction analysis unveiled the crystalline cubic structure of the synthesized *** the utilization of the m-H loop approach,the ferromagnetic attributes of ferrites were assessed,and the assimilation of rare earth elements led to substantial enhancements in saturation magnetization,remanence,and *** ferrites with a high concentration of rare earth elements have improved direct current resistivity and activation *** logarithm of a material's resistance increased from 5.29 to 8.12 Ω·cm as cerium is *** a change in the amount of cerium,the activation energy goes up from 0.19 to *** changing the frequency from 5.5 to 9.5 GHz,the dielectric characteristics were *** the frequency goes up,the dielectric constant goes *** ferrites that have been made better in every way can be used in high-frequency applications.

关键词： Activation energy DC electrical resistance Remanence magnetization Cobalt strontium spinel ferrites High frequency application Rare earths

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Tensile Strain Capacity Prediction of Engineered Cementitious Composites (ECC) Using Soft Computing Techniques

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Computer modeling in Engineering & Sciences 2024年第3期138卷 2925-2954页

作者： Rabar H.Faraj Hemn Unis Ahmed Hardi Saadullah Fathullah Alan Saeed Abdulrahman farid Abed Civil Engineering Department University of HalabjaHalabjaIraq University of Sulaimani College of EngineeringCivil Engineering DepartmentSulaimaniIraq Civil Engineering Department Komar University of Science and TechnologySulaimaniIraq Department of Engineering Kurdistan Institution for Strategic Studies and Scientific ResearchesSulaimaniIraq Department of Civil Engineering American University of SharjahSharjah26666UAE

Plain concrete is strong in compression but brittle in tension,having a low tensile strain capacity that can significantly degrade the long-term performance of concrete structures,even when steel reinforcing is *** order to address these challenges,short polymer fibers are randomly dispersed in a cement-based matrix to forma highly ductile engineered cementitious composite(ECC).Thismaterial exhibits high ductility under tensile forces,with its tensile strain being several hundred times greater than conventional *** concrete is inherently weak in tension,the tensile strain capacity(TSC)has become one of the most extensively researched *** a result,developing a model to predict the TSC of the ECC and to optimize the mixture proportions becomes ***,the effort required for laboratory trial batches to determine the TSC is *** achieve the research objectives,five distinct models,artificial neural network(ANN),nonlinear model(NLR),linear relationship model(LR),multi-logistic model(mLR),and m5P-tree model(m5P),are investigated and employed to predict the TSCof ECCmixtures containing fly *** from115 mixtures are gathered and analyzed to develop a new *** input variables include mixture proportions,fiber length and diameter,and the time required for curing the various *** model’s effectiveness is evaluated and verified based on statistical parameters such as R2,mean absolute error(mAE),scatter index(SI),root mean squared error(RmSE),and objective function(OBJ)***,the ANN model outperforms the others in predicting the TSC of the ECC,with RmSE,mAE,OBJ,SI,and R2 values of 0.42%,0.3%,0.33%,0.135%,and 0.98,respectively.

关键词： Engineered cementitious composites fly ash curing time tensile strain capacity modeling

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Zircon U-Pb ages in the Nuratau ophiolitic mélange in the southern Tianshan,Uzbekistan:Implication for the closure of Paleo-Asian Ocean

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China Geology 2024年第2期7卷 365-368,I0004-I0007页

作者： kai Weng Ji-fei Cao Divayev-farid karibovich Jahongir-Jurabekovich movlanov Bo Chen Zhong-ping ma Xi’an Center of Geological Survey China Geological SurveyXi’an 710119China The Center for Geoinnovation Technologies Doctor of Sciences in Geology and mineralogy University of Geological ScienceTashkent 100060Uzbekistan

*** The Central Asian Orogenic Belt(CAOB),which is located between the European craton,Siberian craton,and Tarim-North China craton(Fig.1a),is the largest phanerozoic accretionary orogen in the *** resulted from the longterm subduction and accretion of the Paleo-Asian Ocean(PAO).The PAO has been in existence since at least the late mesoproterozoic(about 1020 ma).However,there has been debate about the closing time of the PAO.

关键词： Asian Paleo Tianshan

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Toward a comprehensive hypothesis of oxygen-evolution reaction in the presence of iron and gold

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Journal of Energy Chemistry 2024年第2期89卷 172-183,I0005页

作者： Negah Hashemi Jafar Hussain Shah Cejun Hu Subhajit Nandy Pavlo Aleshkevych Sumbal farid keun Hwa Chae Wei Xie Taifeng Liu Junhu Wang mohammad mahdi Najafpour Department of Chemistry Institute for Advanced Studies in Basic Sciences(IASBS)Zanjan 45137-66731Iran Center for Advanced mössbauer Spectroscopy Mössbauer Effect Data CenterDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina key Lab of Advanced Energy materials Chemistry(ministry of Education) Renewable Energy Conversion and Storage CenterCollege of ChemistryNankai UniversityTianjin 300071China Advanced Analysis Center Korea Institute of Science and TechnologySeoul 02792Republic of Korea Institute of Physics Polish Academy of SciencesWarsaw 02-668Poland National and Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials Henan UniversityKaifeng 475004HenanChina Center of Climate Change and Global Warming Institute for Advanced Studies in Basic Sciences(IASBS)Zanjan 45137-66731Iran Research Center for Basic Sciences&modern Technologies(RBST) Institute for Advanced Studies in Basic Sciences(IASBS)Zanjan 45137-66731Iran

This study investigates the effects of Fe on the oxygen-evolution reaction(OER)in the presence of *** distinct areas of OER were identified:the first associated with Fe sites at low overpotential(~330 mV),and the second with Au sites at high overpotential(~870 mV).Various factors such as surface Fe concentration,electrochemical method,scan rate,potential range,concentration,method of adding k_(2)Fe O_(4),nature of Fe,and temperature were varied to observe diverse behaviors during OER for Fe O_(x)H_(y)/*** amounts of Fe ions had a significant impact on OER,reaching a saturation point where the activity did not increase *** electronic interaction between Fe and Au ions was indicated by X-ray photoelectron spectroscopy(XPS)and electron paramagnetic resonance(EPR)*** situ visible spectroscopy confirmed the formation of Fe O_(4)^(2-)during *** situ mossbauer and surfaceenhanced Raman spectroscopy(SERS)analyses suggest the involvement of Fe-based species as intermediates during the rate-determining step of OER.A lattice OER mechanism based on Fe O_(x)H_(y)was proposed for operation at low *** functional theory(DFT)calculations revealed that Fe oxide,Fe-oxide clusters,and Fe doping on the Au foil exhibited different activities and stabilities during *** study provides insights into the interplay between Fe and Au in OER,advancing the understanding of OER mechanisms and offering implications for the design of efficient electrocatalytic systems.

关键词： DFT calculation Fe/Au electrocatalysis mechanism Oxygen evolution Water oxidation

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水稻全田块无人收获作业自动打点系统设计与试验

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农业机械学报 2024年第6期55卷 60-67,79页

作者：崔冰波杜卓文韩逸朱耀辉魏新华江苏大学农业工程学院镇江212013 江苏大学现代农业装备与技术教育部重点实验室镇江212013

谷物收获机械无人化作业可有效解决收获季用工短缺问题,全田块自动导航作业是无人收获机智能化的核心。为解决水稻无人收获作业自动打点问题,基于边界线跟踪与地头区域检测实现水稻田块最外圈导航与剩余作业区域自动打点,并提出一种目... 详细信息

谷物收获机械无人化作业可有效解决收获季用工短缺问题,全田块自动导航作业是无人收获机智能化的核心。为解决水稻无人收获作业自动打点问题,基于边界线跟踪与地头区域检测实现水稻田块最外圈导航与剩余作业区域自动打点,并提出一种目标区域先验形态辅助的动态感兴趣区域设定方法,改善作物边界线提取可靠性。采用自控小车对所提方法进行验证,试验结果表明,当车辆作业速度为0.8m/s时,水稻未收获区域直线边界跟踪平均误差小于5cm,单帧图像检测时间小于50ms。水稻边界自动打点试验结果表明,所设计自动打点系统打点平均误差为3.5cm,满足直角梯形水稻田块自动打点需求。

关键词：水稻全田块自动导航无人收获作业自动打点作物边界提取

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针刀通过TGF-β/Smad通路改善kOA兔骨骼肌胶原沉积和纤维化（英文）

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Journal of Traditional Chinese medical Sciences 2024年第3期 376-385页

作者：胡庭尧 Einar khavaza 梁楚西邢龙飞陈烯琳许悦马薇薇 farid mokhtari 芦娟郭长青北京中医药大学针灸推拿学院北京大学人民医院中医科广州中医药大学第五临床医学院广东省中医院针灸康复科沙希德·贝赫什提医科大学传统医学诊所

目的：研究针刀对兔膝骨关节炎(kOA)模型中骨骼肌纤维化和胶原沉积的影响。方法：将18只兔子随机分为对照组、kOA组和kOA+针刀(Apo)组(每组6只)。kOA和Apo组通过改良的Videman法造模6周。造模成功后，Apo组在股内侧肌、股外侧肌、股直... 详细信息

目的：研究针刀对兔膝骨关节炎(kOA)模型中骨骼肌纤维化和胶原沉积的影响。方法：将18只兔子随机分为对照组、kOA组和kOA+针刀(Apo)组(每组6只)。kOA和Apo组通过改良的Videman法造模6周。造模成功后，Apo组在股内侧肌、股外侧肌、股直肌、股二头肌和鹅足囊腱处每周针刀干预一次，持续3周。记录所有动物的行为，取股直肌组织，使用masson染色和透射电子显微镜观察股直肌组织形态变化。Western blot和RT-PCR检测转化生长因子-β1(TGF-β1)、Smad3、Smad7、Ⅰ型胶原(Col-Ⅰ)和Ⅲ型胶原(Col-Ⅲ)的蛋白和mRNA的表达。结果：形态学分析显示，与kOA组相比，Apo组改善了股直肌的微结构并降低了胶原容积分数(P=.034)。针刀通过调节纤维化相关指标的蛋白和mRNA的表达，抑制了异常的胶原沉积，从而减轻骨骼肌纤维化。Western blot和RT-PCR分析显示，Apo组的Col-Ⅰ和Col-Ⅲ蛋白水平显著低于kOA组(P m RNA水平也显著降低(P=.0031;P=.0046)。与kOA组相比，Apo组的TGF-β1和Smad 3蛋白水平显著降低(P mad 3的mRNA水平也显著降低(P=.0007;P=.0011)。相反，Apo组Smad 7的蛋白和mRNA水平显著高于kOA组(P kOA进展的作用，该过程通过TGF-β/Smad通路而实现。

关键词：针刀膝骨关节炎骨骼肌纤维化胶原沉积

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