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Distance Learning at the MS and PhD Levels in the Nuclear and Radiation engineering program, Nuclear and Applied Robotics, materials science and engineering and Walker department of Mechanical engineering at the University of Texas at Austin

Distance Learning at the MS and PhD Levels in the Nuclear an...

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2023 Transactions of the American Nuclear Society Winter Conference and Expo, ANS 2023

作者： Landsberger1, Sheldon Charlton, William Clamo, Kevin Ezekoye, Ofodike Kovar, Desiderio Haas, Derek Pryor, Mitchell University of Texas at Austin Nuclear and Radiation Engineering Program Nuclear Engineering Teaching Lab 10100 Burnet Road Pickle Research Campus R-9000 AustinTX United States Walker Department of Mechanical Engineering University of Texas at Austin 204.Dean Keeton ETC II 5.160 AustinTX United States The University of Texas at Austin Materials Science and Engineering Walker Department of Mechanical Engineering 204 Dean Keeton ETC II 5.100 AustinTX United States

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High-Performance Perovskite Quantum Dot Solar Cells Enabled by Incorporation with Dimensionally Engineered Organic Semiconductor

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Nano-Micro Letters 2022年第12期14卷 272-285页

作者： Seyeong Lim Dae Hwan Lee Hyuntae Choi Yelim Choi Dong Geon Lee Sung Beom Cho Seonkyung Ko Jongmin Choi Younghoon Kim Taiho Park Department of Chemical Engineering Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea Department of Materials Science and Engineering Hanyang UniversitySeoul 04763Republic of Korea Center of Materials Digitalization Korea Institute of Ceramic Engineering and Technology(KICET)Jinju 52851Republic of Korea Department of Materials Science and Engineering Ajou UniversitySuwon 16499Republic of Korea Department of Energy Science and Engineering Daegu Gyeongbuk Institute of Science and Technology(DGIST)Daegu 42988Republic of Korea Department of Chemistry Kookmin UniversitySeoul 02707Republic of Korea

Perovskite quantum dots(PQDs)have been considered promising and effective photovoltaic absorber due to their superior optoelectronic properties and inherent material merits combining perovskites and ***,they exhibit low moisture stability at room humidity(20-30%)owing to many surface defect sites generated by inefficient ligand exchange *** surface traps must be re-passivated to improve both charge transport ability and moisture *** address this issue,PQD-organic semiconductor hybrid solar cells with suitable electrical properties and functional groups might dramatically improve the charge extraction and defect *** organic semiconductors are typically low-dimensional(1D and 2D)and prone to excessive self-aggregation,which limits chemical interaction with *** this work,we designed a new 3D star-shaped semiconducting material(Star-TrCN)to enhance the compatibility with *** robust bonding with Star-TrCN and PQDs is demonstrated by theoretical modeling and experimental *** Star-TrCN-PQD hybrid films show improved cubic-phase stability of CsPbI_(3)-PQDs via reduced surface trap states and suppressed moisture *** a result,the resultant devices not only achieve remarkable device stability over 1000 h at 20-30%relative humidity,but also boost power conversion efficiency up to 16.0%via forming a cascade energy band structure.

关键词： CsPbI3 quantum dots Star-shaped organic semiconductors Hybrid perovskite quantum dots Solar cell stability High-efficiency photovoltaics

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The prospect and challenges of sodium-ion batteries for low-temperature conditions

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Interdisciplinary materials 2022年第3期1卷 373-395页

作者： Meng Wang Qianchen Wang Xiangyu Ding Yingshuai Wang Yuhang Xin Preetam Singh Feng Wu Hongcai Gao School of Materials Science and Engineering Beijing Institute of TechnologyBeijingChina Department of Ceramic Engineering Indian Institute of Technology(BHU)VaranasiIndia

In recent years,considerable attention has been focused on the development of sodium-ion batteries(SIBs)because of the natural abundance of raw materials and the possibility of low cost,which can alleviate the concerns of the limited lithium resources and the increasing cost of lithium-ion *** the growing demand for reliable electric energy storage devices,requirements have been proposed to further increase the comprehensive performance of ***,the low-temperature tolerance has become an urgent technical obstacle in the practical application of SIBs,because the low operating temperature will lead to sluggish electrochemical reaction kinetics and unstable interfacial reactions,which will deteriorate the performance and even cause safety *** the basis of the charge-storage mechanism of SIBs,optimization of the composition and structure of electrolyte and electrode materials is crucial to building SIBs with high performance at low *** this review,the recent research progress and challenges were systematically summarized in terms of electrolytes and cathode and anode materials for SIBs operating at low *** typical full-cell configurations of SIBs at low temperatures were introduced to shed light on the fundamental research and the exploitation of SIBs with high performance for practical applications.

关键词： anode materials cathode materials electrolyte low temperatures sodium-ion batteries

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Surface phase diagram of CsSnI3 from first-principles calculations

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Physical Review materials 2024年第9期8卷 093401页

作者： Kejia Li Chadawan Khamdang Mengen Wang Department of Electrical and Computer Engineering Materials Science and Engineering Program

CsSnI3 is widely studied as an environmentally friendly Pb-free perovskite material for optoelectronic device applications. To further improve material and device performance, it is important to understand the surface structures of CsSnI3. We generate surface structures with various stoichiometries, perform density functional theory calculations to create phase diagrams of the CsSnI3 (001), (110), and (100) surfaces, and determine the most stable surfaces under a wide range of Cs, Sn, and I chemical potentials. Under I-rich conditions, surfaces with Cs vacancies are stable, which lead to partially occupied surface states above the valence band maximum. Under I-poor conditions, we find the stoichiometric (100) surface to be stable under a wide region of the phase diagram, which does not have any surface states and can contribute to long charge-carrier lifetimes. Consequently, the I-poor (Sn-rich) conditions will be more beneficial to improve the device performance.

关键词： Electronic structure Surface reconstruction Surface states Perovskites Semiconductors Density functional theory

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Historical, Contemporary, and Future Perspectives on Fuel Qualification

Historical, Contemporary, and Future Perspectives on Fuel Qu...

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2024 Annual Conference on Transactions of the American Nuclear Society, ANS 2024

作者： Mika, Mitch Aitkaliyeva, Assel University of Florida Department of Materials Science Nuclear Engineering Program GainesvilleFL United States

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Synergistic extraction of rare earth elements and alumina from coal fly ash by potassium pyrosulfate

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Journal of Rare Earths 2024年第4期42卷 749-758页

作者： Jingjing Zou Yiping Sun Chunbin Guo Daye Chen Yonghong Song Yongfeng Wu Zhaotianhui Li Department of Environment Science and Engineering Liaoning Technical UniversityFuxin23000China Department of Materials Science and Engineering Liaoning Technical UniversityFuxin123000 China Technology Research and Development Department Chinese Institute of Coal ScienceBeijing100013China Shenhua Zhungeer Energy and Resource Comprehensive Development Co. Ltd.Erdos10300China Liaoning Yingguan High-tech Ceramic Co. Ltd.Jinzhou121213China

Although coal fly ash(CFA)contains a high content of rare earth elements(REEs),the related extraction methods have limitations because of their low efficiencies,high levels of energy consumption,and other *** address these problems,in this study,we examined the coextraction of REEs and Al_(2)O_(3)from two types of Al_(2)O_(3)-rich CFA,pulverized CFA(PCFA)and circulating fluidized bed fly ash(CFBFA)using low-temperature calcination in the presence of K_(2)S_(2)O_(7).The total REEs,heavy REEs(HREEs),and light REEs(LREEs)extraction efficiencies were determined using different K_(2)S_(2)O_(7)/Al_(2)O_(3) molar ratios and calcination temperatures and correlated with the Al_(2)O_(3) extraction efficiency using Pearson correlation coefficient *** REEs are concentrated within CFA particles encapsulated in an aluminosilicate glass phase,and the REEs extraction efficiency is related to the form of Al in *** extraction efficiencies of Al_(2)O_(3) and REEs increase as the K_(2)S_(2)O_(7)/Al_(2)O_(3) molar ratio and calcination temperature increase,and the extraction selectivity of the more industrially valuable HREEs from CFBFA is *** high K_(2)S_(2)O_(7)/Al_(2)O_(3) molar ratios,the extraction of REEs from PCFA is more efficient than that from CFBFA with the regeneration of the highly active Al-O-Si bonds in *** Al_(2)O_(3) extraction efficiencies of PCFA as well as CFBFA correlate strongly with the total REEs,HREEs,and LREEs extraction *** developed extraction technology has the potential to promote CFA valorization and expand REEs resources,thus mitigating the bottlenecks of REEs procurement.

关键词： Rare earths Alumina Coal fly ash Potassium pyrosulfate Calcination Extraction

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Intermittent oxidation kinetics and metal/oxide interfacial undulation

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Physical Review B 2024年第8期110卷 085402-085402页

作者： Dongxiang Wu Xianhu Sun Judith C. Yang Guangwen Zhou Department of Mechanical Engineering & Materials Science and Engineering Program Department of Chemical and Petroleum Engineering

The phenomenon of oxygen adsorption induced surface restructuring is widespread across various metal-oxygen systems, yet its impact on initiating bulk oxide formation remains largely unexplored. Through in situ atomic-resolution electron microscopy observations of surface oxidation of Cu(110) and Cu85Au15(110), we unveil intermittent oxide-film growth modulated by oxygen-induced surface restructuring. This modulation is evidenced by repeated pinning of the Cu2O growth front at isolated Cu columns of the c(6×2)-O reconstruction, owing to required long-range diffusion of Cu and O atoms to the Cu2O growth front. We reveal that Cu vacancies, generated at the Cu2O growth front, are injected into the Cu2O/Cu interface, inducing hill and valley undulation of the Cu2O film. In contrast, atomic vacancies produced during the Cu85Au15(110) oxidation preferentially migrate into interfaces between Au-rich and Au-poor regions in the bulk, resulting in a flat and adherent Cu2O film. These findings demonstrate the critical role of oxygen-induced surface restructuring in modulating oxide film growth kinetics and the manipulability of the fate of injected vacancies by alloying, thereby offering insights applicable to a broader range of metal-oxygen systems for fine-tuning oxidation kinetics and enhancing oxide/metal interfacial adhesion.

关键词： Surface & interfacial phenomena Surface reconstruction Surface growth Density functional theory Transmission electron microscopy

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Rheological and stability analysis of cement pastes incorporating silica-based wastes

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Particuology 2024年第6期89卷 144-152页

作者： Julia da Rosa Martins Janaíde Cavalcante Rocha Dachamir Hotza Luciano Senff Graduate Program in Materials Science and Engineering(PPGMAT) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Graduate Program in Civil Engineering(PPGEC) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Graduate Program in Chemical Engineering(POSENQ) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Department of Mobility Engineering Federal University of Santa Catarina(UFSC)Joinville89219-600SCBrazil

This study investigates the influence of waste characteristics,especially zeta potential,on the properties of cement pastes and *** focus is to evaluate the impact of the zeta potential of cement particles and waste materials on the sedimentation speed,rheology,and hardening time of stabilized cement *** Cement II F 40,retarder additive,silica,and fly ash were used in the *** pastes were prepared,and during the stabilization period,their rheological properties and pH were *** zeta potential and sedimentation speed of the cement and waste particles were measured at the pH that the pastes presented during the entire stabilization *** the stabilization period,the pastes were subjected to the hardening time *** zeta potential analyses revealed diverse values for the different powder types,with the cement particles exhibiting a zeta potential of−3.0 mV,the silica particles exhibiting−10.5 mV,and the fly ash particles exhibiting−20.3 *** influence of the high zeta potential modulus was observed on the sedimentation speed,with the solution containing fly ash exhibiting a speed of 40.01μm/s,whereas the solution containing only cement exhibited a speed of 99.38μm/*** the pastes,the results indicate that the presence of fly ash particles with a significantly negative zeta potential led to a 16%reduction in hardening time compared to particles with a lower modulus of zeta *** tests showed that the inclusion of fly ash particles prevented the formation of *** the zeta potential influenced agglomerate formation and hardening time,it was found to have no effect on yield stress or viscosity.

关键词： Wastes Zeta potential Setting time Rheometry

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Microstructure evolution and mechanical properties of Al_(2)O_(3)foams via laser powder bed fusion from Al particles

Advanced Powder Materials

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Advanced Powder materials 2023年第4期2卷 114-123页

作者： Ye Dong Annan Chen Ting Yang Shuai Gao Shuning Liu Bingjian Guo Hongyi Jiang Yusheng Shi Chunze Yan School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China Engineering Research Center of Ceramic Materials for Additive Manufacturing Ministry of EducationWuhan 430074China Centre for Advanced Structural Materials Department of Mechanical EngineeringCity University of Hong KongHong KongChina

Laser powder bed fusion(LPBF)combined with reaction bonding(RB)of Al particles is an effective method for preparing high-performance 3D Al_(2)O_(3) ceramic ***,the indistinct microstructure evolution hinders the regulation of pore features and the improvement of synthetic ***,the microstructure evolution of the Al_(2)O_(3) ceramic foams during the LPBF/RB process is clariﬁed by various characterization methods,and the corresponding mechanical property modulation is realized by optimizing LPBF parameters,organic binder(E12 epoxy resin)content,heating rate,sintering time,and coral-like Al_(2)O_(3) *** expansion from Al_(2)O_(3) outward growth and Al granule precipitation counteracts the shrinkage from E12 decomposition and Al_(2)O_(3) sintering,resulting in an ultra-low shrinkage of 0.94%–3.01%.The pore structures of particle packing pores,hollow spheres,and microporous structures allow a tunable porosity of 52.6%–73.7%.The in-situ formation of multi-scale features including hollow spheres,ﬂaky grains,whiskers,nanoﬁbers,and bond bridges brings about a remarkably high bending strength of 6.5–38.3 ***ﬁndings reveal the relationship between microstructure evolution and property optimization of high-performance ceramic foams,with potential signiﬁcance for microstructure design and practical application.

关键词： Al_(2)O_(3)ceramic foams Laser powder bed fusion Reaction bonding Microstructure evolution Mechanical property modulation

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Excitations in layered materials from a non-empirical Wannier-localized optimally-tuned screened rangeseparated hybrid functional

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npj Computational materials 2024年第1期10卷 132-140页

作者： María Camarasa-Gómez Stephen E.Gant Guy Ohad Jeffrey B.Neaton Ashwin Ramasubramaniam Leeor Kronik Department of Molecular Chemistry and Materials Science Weizmann Institute of ScienceRehovoth7610001Israel Department of Physics University of CaliforniaBerkeleyCA94720USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA94720USA Kavli Energy NanoSciences Institute at Berkeley University of CaliforniaBerkeleyCA94720USA Department of Mechanical and Industrial Engineering University of Massachusetts AmherstAmherstMA01003USA Materials Science and Engineering Graduate Program University of MassachusettsAmherstAmherstMA01003USA

Accurate prediction of electronic and optical excitations in van der Waals(vdW)materials is a long-standing challenge for density functional *** recent Wannier-localized optimally-tuned screened range-separated hybrid(WOT-SRSH)functional has proven successful in non-empirical determination of electronic band gaps and optical absorption spectra for covalent and ionic ***,for vdW materials the tuning of the material-and structure-dependent functional parameters has only been attained ***,we present a non-empirical WOT-SRSH approach applicable to vdW materials,with the optimal functional parameters transferable between monolayer and *** apply this methodology to prototypical vdW materials:black phosphorus,molybdenum disulfide,and hexagonal boron nitride(in the latter case including zero-point renormalization).We show that the WOT-SRSH approach consistently achieves accuracy levels comparable to experiments and many-body perturbation theory(MBPT)calculations for band structures and optical absorption spectra,both on its own and as an optimal starting point for MBPT calculations.

关键词： theory optimal functional

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