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Machine learning empowers efficient design of ternary organic solar cells with PM6 donor

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Journal of Energy Chemistry 2025年第1期100卷 337-347页

作者： Kiran A.Nirmal Tukaram D.Dongale santosh s.sutar Atul C.Khot Tae Geun Kim school of Electrical Engineering Korea University Computational Electronics and Nanoscience Research Laboratory School of Nanoscience and Biotechnology Shivaji University Yashwantrao Chavan school of Rural Development Shivaji University

Organic solar cells(OsCs) hold great potential as a photovoltaic technology for practical ***, the traditional experimental trial-and-error method for designing and engineering OsCs can be complex, expensive, and time-consuming. Machine learning(ML) techniques enable the proficient extraction of information from datasets, allowing the development of realistic models that are capable of predicting the efficacy of materials with commendable accuracy. The PM6 donor has great potential for high-performance OsCs. However, it is crucial for the rational design of a ternary blend to accurately forecast the power conversion efficiency(PCE) of ternary OsCs(TOsCs) based on a PM6 ***, we collected the device parameters of PM6-based TOsCs and evaluated the feature importance of their molecule descriptors to develop predictive models. In this study, we used five different ML algorithms for analysis and prediction. For the analysis, the classification and regression tree provided different rules, heuristics, and patterns from the heterogeneous dataset. The random forest algorithm outperforms other prediction ML algorithms in predicting the output performance of PM6-based TOsCs. Finally, we validated the ML outcomes by fabricating PM6-based TOsCs. Our study presents a rapid strategy for assessing a high PCE while elucidating the substantial influence of diverse descriptors.

关键词： Random forests

seismic Performance Assessment of a Conventional Multi-storey building

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International Journal of Disaster Risk science 2017年第3期8卷 237-245页

作者： Giuseppe Marcantonio Del Gobbo Martin s.williams Anthony blakeborough Department of Engineering science University of OxfordOxford OX1 3PJUK

Recent earthquakes have revealed that conventional seismic design philosophy allows for large levels of nonstructural damage. Nonstructural earthquake damage results in extensive repair costs and lengthy functional disruptions, as nonstructural systems comprise the majority of building investment and are essential to building operations. A better understanding of the expected overall seismic performance of code-compliant buildings is needed. This study investigates the seismic performance of a conventional building. A 16-storey steel office building was designed using a modern seismic structural code(Eurocode 8). This study is the first to assess in detail the substantial earthquake repair costs expected in a modern Eurocode concentric braced frame structure, considering nonstructural systems with the FEMA P-58 procedure. The breakdown of total repair costs by engineering demand parameter and by fragility group is novel. The seismic performance assessment indicated that substantial earthquake repair costs are expected. Limitations of the Eurocode nonstructural damage methodology were revealed in a novel manner using FEMA P-58, as the prescribed drift limits did not minimize nonstructural repair costs. These findings demonstrate the need for design procedures that improve nonstructural seismic performance. The study results provide a benchmark on which to evaluate retrofit alternatives for existing buildings and design options for new structures.

关键词： Eurocode 8 FEMA P-58 Nonstructural systems seismic performance assessment

Decomposition of biomass gasification tar model compounds over waste tire pyrolysis char

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Waste Disposal and sustainable Energy 2022年第2期4卷 75-89页

作者： Amal s.Al-Rahbi Paul T.williams Present address:Applied sciences Department Higher College of TechnologyUniversity of Technology and Applied SciencesMuscatSultanate of Oman school of Chemical and Process Engineering University of LeedsLeedsLS29JTUK

Gasification of biomass produces a syngas containing trace amounts of viscous hydrocarbon tar,which causes serious problems in downstream pipelines,valves and processing *** study focuses on the use of tire-derived pyrolysis char for tar conversion using biomass tar model compounds representative of *** catalytic decomposition of tar model compounds,including methylnaphthalene,furfural,phenol,and toluene,over tire char was investigated using a fixed bed reactor at a bed temperature of 700℃and 60 min time on *** influence of temperature,reaction time,porous texture,and acidity of the tire char was investigated with the use of methylnaphthalene as the tar model *** tar model compounds were found to have higher conversion than those containing a single or multi-aromatic *** reactivity of tar compounds followed the order of furfural>phenol>toluene>*** conversion of the model compounds in the presence of the tire char was much higher than tar thermal *** production increased dramatically with the introduction of tire *** H_(2)potential for the studied tar model compounds was found to be in the range of 40%–50%.The activity of tire char for naphthalene removal was compared with two commercial activated carbons possessing a very well-developed porous *** results suggest that the influence of brunauer-Emmett-Teller surface area of the carbon on tar cracking is negligible compared with the mineral content in the carbon samples.

关键词： biomass Gasification syngas Tar Tire Char

Using High-Throughput Phenotyping to Explore Growth Responses to Mycorrhizal Fungi and Zinc in Three Plant species

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Plant Phenomics 2019年第1期1卷 121-132页

作者： s.J.Watts-williams N.Jewell C.brien b.berger T.Garnett T.R.Cavagnaro The school of Agriculture Food and Wineand The Waite Research InstituteThe University of AdelaidePMB 1Glen OsmondSA 5064Australia Australian Research Council Centre of Excellence in Plant Energy biology The University of AdelaideGlen OsmondSAAustralia Australian Plant Phenomics Facility The Plant AcceleratorThe University of AdelaidePMB1Glen OsmondSA 5064Australia

There are many reported benefits to plants of arbuscular mycorrhizal fungi(AMF),including positive plant biomass responses;however,AMF can also induce biomass depressions in plants,and this response receives little attention in the *** phenotyping(HTP)technology permits repeatedmeasures of an individual plant’s aboveground *** examined the effect on AMF inoculation on the shoot biomass of three contrasting plant species:a vegetable crop(tomato),a cereal crop(barley),and a pasture legume(Medicago).We also considered the interaction ofmycorrhizal growth responseswith plant-available soil zinc(Zn)and phosphorus(P)*** appearance of a depression in shoot biomass due to inoculation with AMF occurred at different times for each plant species;depressions appeared earliest in tomato,then Medicago,and then *** usually positive-responding Medicago plants were not responsive at the high level of soil available P *** growth responsiveness in all three species was also highly interactive with soil Zn supply;tomato growth responded negatively to AMF inoculation in all soil Zn treatments except the toxic soil Zn treatment,where it responded *** results illustrate how context-dependentmycorrhizal growth responses are and the value of HTP approaches to exploring the complexity of mycorrhizal responses.

关键词： species Fungi soil

A comprehensive approach to an equation of state for hard spheres and Lennard Jones fluids

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Chinese Physics b 2011年第8期20卷 271-278页

作者： s.b.Khasare 90 New Jagruti Colony Katol Road NagpurIndia

We present a simple method of obtaining various equations of state for hard sphere fluid in a simple unifying way. We will guess equations of state by using suitable axiomatic functional forms （n = 1, 2, 3, 4, 5） for surface tension sn （r）, r≥ d/2 with intermolecular separation r as a variable, where m is an arbitrary real number （pole）. Among the equations of state obtained in this way are Percus-Yevick, scaled particle theory and Carnahan-starling equations of state. In addition, we have found a simple equation of state for the hard sphere fluid in the region that represents the simulation data accurately. It is found that for both hard sphere fluids as well as Lennard-Jones fluids, with m = 3/4 the derived equation of state （EOs） gives results which are in good agreement with computer simulation results. Furthermore, this equation of state gives the Percus-Yevick （pressure） EOs for the m = 0, the Carnahan-starling EOs for rn = 4/5, while for the value of m = 1 it corresponds to a scaled particle theory EOs.

关键词： equation of state Lennard-Jones potential hard-sphere potential computer algebra,computer simulation

Thermodynamic study of fluid in terms of equation of state containing physical parameters

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Chinese Physics b 2015年第1期24卷 382-387页

作者： s.b.Khasare Department of Physics science College Congress Nagar Nagpur Maharashtra State India

We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liquid state using the equation of state containing only two physical parameters such as the hard sphere diameter and binding energy. The temperature dependence of the structural properties and the thermodynamic behavior of the clusters are studied. Computations based on f predict the variation of numbers of particles at the contact point of the molecular cavity（radial distribution function）.From the thermodynamic profile of the fluid, the model results are discussed in terms of the cavity due to the closed surface along with suitable energy. The present calculation is based upon the sample thermodynamic data for n-hexanol, such as the ultrasonic wave, density, volume expansion coefficient, and ratio of specific heat in the liquid state, and it is consistent with the thermodynamic relations containing physical parameters such as size and energy. since the data is restricted to n-hexanol, we avoid giving the physical meaning of f, which is the key parameter studied in the present work.

关键词： equations of state Lenard–Jones potential hard-sphere potential

simulation of Hail and soil Type Effects on Crop Yield Losses in Kansas,UsA

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Pedosphere 2009年第5期19卷 642-653页

作者： WANG Er-Da b. b. LITTLE J. A. williams YU Yang M. sCHUCKING school of Management Dalian University of Technology Dalian 116023 (China) Tarleton state University Texas A&M University System Stephenville Texas 76402 (USA) blackland Research and Extension Center Texas A&M University System Temple Texas 76502 (USA) Center for Agribusiness Excellence Tarleton State University Stephenville Texas 76402 (USA)

Computer simulation was used for predictive analysis of the effects of weather and soil type on crop yield in the U.s. crop insurance program. The Environmental Policy Integrated Climate （EPIC） model was modified to include hail weather events, which completed the modifications necessary to simulate the four most frequent causes of crop yield loss （hail, excessive wet, excessive cold, and excessive dry） associated with soil type in Kansas, UsA. At the region level, per hectare yields were simulated for corn, wheat, soybean, and sorghum. We concluded that it was possible to predict crop yields through computer simulation with greater than 93% accuracy. The hail damage model test indicated EPIC could predict hail-soil-induced yield losses reasonably well （R^2 〉 0.6）. The investigation of soil type influence on dryland sorghum and wheat production indicated that Wymore silty clay loam soil and Kenorna silt loam produced the highest sorghum yields statistically; Kuma silt loam, Roxbury silt loam, Crete silty clay loam, and Woodson silt soils produced the second highest sorghum yields statistically; and Richfiled silt loam, Wells loam, and Canadian sandy loam produced the lowest sorghum yields. by contrast, wheat production showed less sensitivity to soil type variation. The less sensitive response of wheat yields to the soil type could be largely due to the unconsidered small-scale variability of soil features.

关键词： Environmental Policy Integrated Climate model hail damage simulation model

Indoor environmental quality(IEQ)assessment of Nigerian university libraries:A pilot study

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Energy and built Environment 2021年第3期2卷 302-314页

作者： williams P Akanmu sunday s Nunayon Uche C Eboson Department of building School of Environmental TechnologyFederal University of TechnologyMinnaP.M.B 65MinnaNiger StateNigeria Department of Architecture and Civil Engineering City University of Hong KongTat Chee AvenueKowloonHong Kong

An indoor environmental quality(IEQ)assessment of academic libraries in Nigeria was conducted through ob-jective *** selected university libraries were Abubakar Gimba Library;Awwal Ibrahim Library;and Ibrahim badamosi babangida Library *** libraries were evaluated under operating conditions and during their peak usage *** of the main descriptors of good IEQ,including the acoustical,visual,and thermal comfort conditions were performed using portable IEQ *** methodology employed for the assessment of these IEQ descriptors followed prescriptions of international standards AsHRAE standard 55 and IsO *** determine the time of the day in which the library buildings can achieve optimum IEQ,measurements were taken in the morning and *** results obtained were compared with reference values found in the international standard CIbsE Guide A for adequate IEQ compliance of academic *** findings of this study are expected to help in improving the IEQ of academic libraries in Nigeria and other parts of the world.

关键词： Comfort conditions Illuminance Indoor environmental quality Nigerian university libraries Noise level Thermal comfort

Fibonacci Type semigroups

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Algebra Colloquium 2014年第4期21卷 647-652页

作者： Gerald williams Department of Mathematical sciences University of Essex Colchester Essex C04 3SQ UK

We study “Fibonacci type” groups and semigroups. by establishing asphericity of their presentations we show that many of the groups are infinite. We combine this with Adjan graph techniques and the classification of the finite Fibonacci semigroups （in terms of the finite Fibonacci groups） to extend it to the Fibonacci type semigroups.

关键词： Fibonacci group Fibonacci semigroup cyclic presentation asphericity Adjangraph