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8th installment of the REWAS conference series held at the TmS Annual meeting and Exhibition focuses on circular economy for the energy transition, 2025

作者： Kahanavitage Don, Kirula Shata, Sahar He, Haoyang Schoenung, Julie m. J. Mike Walker ’66 Department of Mechanical Engineering Texas A&M University College StationTX77843 United States Department of Materials Science and Engineering Texas A&M University College StationTX77843 United States

ISBN: (纸本)9783031808913

The solar energy industryIndustryisCircular economy one of the fastest growing industriesIndustry in the world. The industryIndustry faces significant challenges due to a lack of effective end-of-life (EOL) managementEnd-of-life management strategies to address the surging volume of EOL photovoltaicPhotovoltaics (PV) modules. Using life-cycle assessment (LCALife-Cycle Assessment (LCA)), the goal of this study is to evaluate the environmental impactEnvironmental impact of various crystalline silicon PV modules, accounting for different designs and materials used, and assess three end-of-life scenarios: material recoveryRecovery, reuse, and remanufacturing. Promoting circularityCircularity can significantly reduce the environmental impactEnvironmental impact of the PV module through the entire life cycle. This study offers a promising strategy to tackle the challenges and facilitate the sustainable development of the solar industryIndustry. © The minerals, metals & materials Society 2025.

关键词： Circular economy

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“Substituents optimization”and“push effect”dual strategy for design of cobalt phthalocyanine catalyst on oxygen reduction reaction

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Journal of materials science & Technology 2023年第26期157卷 80-88页

作者： Wenjuan Li Wenmiao Chen Hongyan Zhuo JinShi Yu Xue Liu Yuexing Zhang Yanli Chen School of Materials Science and Engineering China University of Petroleum(East China)Qingdao 266580China Department of Science Texas A&M University at QatarEducation CityP.O.Box 23874DohaQatar College of Chemistry and Chemical Engineering Dezhou UniversityDezhou 253023China

molecular metallocycle electrocatalysts like metalloporphyrins and metallophthalocyanines were found to be effective for oxygen reduction reaction(ORR)due to their m-N_(4) active sites and large conjugated elec-tronic molecular ***,the“substituents optimization”strategy combined with“push effect”modification was innovatively employed to target a single Co-N_(4) active site in three substituted phthalo-cyaninato cobalt complexes:tetranitrophthalocyaninato cobalt(CoTNPc),tetra(4-nitrophenoxy)phthalo-cyaninato cobalt(CoTPNPc),and tetraphenoxy phthalocyaninato cobalt(CoTPPc)electrocatalyst,also with 4-phenylpyridine axial coordination on Co-N_(4) *** substituents screening,the half-wave poten-tial(E_(1/2))for ORR increases in the order of CoTPNPc(0.75 V)m-OC_(6) H_(4)-NO_(2),-OC_(6) H_(5) to-NO_(2) in the three cobalt phthalocyanine *** with the weakest electron-withdrawing substituent exhibits the best ORR performance among the three *** is attributed to its higher elec-tron delocalization and lifted HOmO energy level with the lower energy barrier in the rate-determining step relative to the other two compounds,which facilitate the electron transfer and reduction of oxy-gen as evidenced by XPS,UPS,and DRS analysis combined with DFT *** coordination of 4-phenylpyridine shifts the E_(1/2) up to 0.78,0.82,and 0.85 V for CoTPNPc,CoTPPc,and *** calcu-lations demonstrate that the introduction of the electron-donating phenylpyridine ligand into the cobalt phthalocyanines breaks the symmetry of the Co-N_(4) center and also raises the electron density of Co sites,which promotes O_(2) adsorption and improves ORR *** comparing the two strategies,the substituents on metallophthalocyanine are more determined by the electroactivity than the axial group,which directly regulates the coordination

关键词： Cobalt phthalocyanine Substituent effect Push effect ORR

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Work-in-Progress Paper: Creating and Validating the Conceptual Assessment for Sedimentology courses 54

Work-in-Progress Paper: Creating and Validating the Conceptu...

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54th IEEE Frontiers in Education Conference, FIE 2024

作者： Stepanova, Anna Anwar, Saira Laya, Juan Carlos Zarikian, Carlos A. Alvarez Hammond, Tracy Texas A&m University Department of Computer Science & Engineering College StationTX United States Texas A&m University Department of Multidisciplinary Engineering College StationTX United States Texas A&m University Department of Geology & Geophysics College StationTX United States Texas A&m University International Ocean Discovery Program College StationTX United States

ISBN: (纸本)9798350351507

Contribution: In this work-in-progress paper we describe the process of creating and validating a conceptual assessment in the field of sedimentology for undergraduate geoscience courses. The mechanism can aid future geoscience educators and researchers in the process of academic assessment development aligned with learning objectives in these courses. Background: Prior literature review supports the benefits of using active learning tools in STEm (science, Technology, engineering, and mathematics) courses. This paper is part of a larger project to develop and incorporate research-based active learning software in sedimentology and other geoscience courses to improve grade point average (GPA) and time to graduation for Hispanic students at texas a&m university. To evaluate the novel tool, we designed and validated the conceptual assessment instrument presented in this work. Research Question: What is the process to develop and validate a conceptual assessment for sedimentology? methodology: This paper follows quantitative analysis and the assessment triangle approach and focuses on cognition, observation, and interpretation to design and evaluate the conceptual assessment. In the cognition element of the triangle, we explain the mechanism for creating the assessment instrument using students' learning objectives. The observation element explains the mechanism of data collection and the instrument revision. The interpretation element explains the results of the validation process using item response theory and reliability measures. We collected the conceptual assessment data from 17 participants enrolled in two courses where sedimentology topics are taught. Participants were geology majors in one of the courses and engineering majors in the other. Findings: The team developed a conceptual assessment that included eight multiple-choice (mCQ) and four open-ended response questions. The results of the design process described the conceptualization of questions and their

关键词： Sedimentology

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A Survey on the Control Lyapunov Function and Control Barrier Function for Nonlinear-Affine Control Systems

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IEEE/CAA Journal of Automatica Sinica 2023年第3期10卷 584-602页

作者： Boqian Li Shiping Wen Zheng Yan Guanghui Wen Tingwen Huang Australian AI Institute Faculty of Engineering and Information TechnologyUniversity of Technology SydneyNSW 2007Australia Department of Systems Science School of MathematicsSoutheast UniversityNanjing 210096China Science Program Texas A&M University at QatarDoha 23874Qatar IEEE

This survey provides a brief overview on the control Lyapunov function(CLF)and control barrier function(CBF)for general nonlinear-affine control *** problem of control is formulated as an optimization problem where the optimal control policy is derived by solving a constrained quadratic programming(QP)*** CLF and CBF respectively characterize the stability objective and the safety objective for the nonlinear control *** objectives imply important properties including controllability,convergence,and robustness of control *** this framework,optimal control corresponds to the minimal solution to a constrained QP *** uncertainties are explicitly considered,the setting of the CLF and CBF is proposed to study the input-to-state stability and input-to-state safety and to analyze the effect of *** recent theoretic progress and novel applications of CLF and CBF are systematically reviewed and discussed in this ***,we provide research directions that are significant for the advance of knowledge in this area.

关键词： Control barrier function(CBF) control Lyapunov function(CLF) nonlinear-affine control systems

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Insensitivity of nucleation rate to order-disorder interfaces in reversible thermoelastic martensitic transformations

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Physical Review materials 2024年第1期8卷 014411-014411页

作者： J. C. Lago W. Cho D. Salas I. Karaman P. J. Shamberger Department of Materials Science and Engineering Texas A&M University College Station Texas 77843 USA

Reversible martensitic transformations nucleate from sparse defects that lower the transformation's nucleation energy barrier. However, most defects do not serve as potent nucleation sites and, instead, can pin boundary motion and impede phase growth. Identifying potent defects from the general defect population remains an open challenge and has important implications for engineering reversible alloys. This study considers the influence of mesoscale order-disorder domains and the phase boundaries between the L21 and B2 phases on nucleation kinetics. We use solution heat treatment and secondary annealing in Ni45Co5mn36.7In13.3 microparticles to compare an average L21 domain interfacial area density of 590.6−50.6µm−1, measured from transmission electron microscopy micrographs using the intercept method in ASTm standard E112-13. A total of 131 single particles with radii between 3.8 and 20.7 μm were individually characterized magnetically to measure their transformation temperatures and the transformation behavior. Overall, the undercooling in each particle ranged from 11.3 to 59.4 K, with the smallest volumes having the largest magnitude and variance. The nucleation site potency distributions between the two domain sizes were statistically alike, suggesting that L21 domain size is not a critical factor in initiating nucleation at the length scales of this experiment. The implications for microlevel devices include opportunities to heat treat materials to high operational temperatures (e.g., 773 K) without impacting nucleation behavior.

关键词： First order phase transitions martensitic phase transition Nucleation Phase transitions Structural order parameter Heusler alloy magnetization measurements

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Distributed accelerated primal-dual neurodynamic approaches for resource allocation problem

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science China(Technological sciences) 2023年第12期66卷 3639-3650页

作者： ZHAO You HE Xing YU JunZhi HUANG TingWen College of Electronic and Information Engineering Southwest UniversityChongqing 400715China State Key Laboratory for Turbulence and Complex Systems Department of Advanced Manufacturing and RoboticsCollege of EngineeringPeking UniversityBeijing 100871China Science Program Texas A&M University at QatarDoha 2387Qatar

This paper investigates two distributed accelerated primal-dual neurodynamic approaches over undirected connected graphs for resource allocation problems(RAP)where the objective functions are generally *** the help of projection operators,a primal-dual framework,and Nesterov's accelerated method,we first design a distributed accelerated primal-dual projection neurodynamic approach(DAPDP),and its convergence rate of the primal-dual gap is O(1/(t^(2)))by selecting appropriate parameters and initial ***,when the local closed convex sets are convex inequalities which have no closed-form solutions of their projection operators,we further propose a distributed accelerated penalty primal-dual neurodynamic approach(DAPPD)on the strength of the penalty method,primal-dual framework,and Nesterov's accelerated *** on the above analysis,we prove that DAPPD also has a convergence rate O(1/(t^(2)))of the primal-dual *** with the distributed dynamical approaches based on the classical primal-dual framework,our proposed distributed accelerated neurodynamic approaches have faster convergence *** simulations demonstrate that our proposed neurodynamic approaches are feasible and effective.

关键词： accelerated primal-dual neurodynamic approaches RAP projection operators penalty method convergence rate O(1/(t^(2)))

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Crystal Viewpoints: Virtual Reality Viewpoint Design for Analytical measurement of Crystal Structures in materials science and engineering 53

Crystal Viewpoints: Virtual Reality Viewpoint Design for Ana...

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53rd IEEE ASEE Frontiers in Education International Conference, FIE 2023

作者： Pham, Timothy Wang, Shuyu Razook, Sarah Curran, Alyssa Batra, Jaskirat Singh Rojas-muñoz, Edgar Texas A&m University Department of Computer Science and Engineering College StationTX United States Texas A&m University School of Performance Visualization & Fine Arts College StationTX United States Texas A&m University Department of Materials Science and Engineering College StationTX United States

ISBN: (纸本)9798350336429

This Work-in-Progress Research paper provides an exploration of viewpoints that are feasible candidates for visualizing the crystal structures in a Virtual Reality Learning Environment (VRLE). Visualization of crystal structures in materials science and engineering is an important topic for various STEm disciplines. Traditional approaches to visualize these structures are limited to two-dimensional representations via paper sheets or computer screens. Beyond traditional methods, VRLEs are a promising approach for teaching about crystal structures, as their visualization is inherently three-dimensional and can afford a more immersive user experience. However, the optimal selection of viewpoints and perspectives that promote effective exploration and enhanced interactions with the crystal structures inside the VRLEs remains unclear. Our work addresses this gap by comparing three distinct viewing configurations in a VRLE: (A) from the bottom base of the structure, (B) hovering on top of the stacked crystal structure, and (C) from the center of the structure. To compare the viewpoints, we analyze the user preferences between the visualization approaches. Overall, this paper provides guidelines on the design of experiences related to crystalline structures in VRLEs for better student engagement and enjoyment with materials science content. © 2023 IEEE.

关键词： Data Visualization Human-Computer Interaction Student Engagement Virtual Reality

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Fracture behavior of hybrid epoxy nanocomposites based on multi-walled carbon nanotube and core-shell rubber

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Nano materials science 2022年第3期4卷 251-258页

作者： Zewen Zhu Hengxi Chen Qihui Chen Cong Liu Kwanghae Noh Haiqing Yao masaya Kotaki Hung-Jue Sue Department of Materials Science and Engineering Texas A&M UniversityCollege StationTX77843-3003USA School of Materials Science and Engineering North University of ChinaTaiyuan030051PR China Kaneka US Materials Research Center FremontCA94555USA

The dispersion of nanoparticles plays a key role in enhancing the mechanical performance of polymer *** this work,one hybrid epoxy nanocomposite reinforced by a well dispersed,zinc oxide functionalized,multi-wall carbon nanotube (Zn O-mWCNT) and core-shell rubber (CSR) was prepared,which possesses both high modulus and fracture toughness while maintaining relatively high glass transition temperature (Tg).The improved fracture toughness from 0.82 mPa mfor neat epoxy to 1.46 mPa mfor the ternary epoxy nanocomposites is resulted from a series of synergistic toughening mechanisms,including cavitation of CSR-induced matrix shear banding,along with the fracture of mWCNTs and crack *** implication of the present study for the preparation of high-performance polymer nanocomposites is discussed.

关键词： Carbon nanotube Core-shell rubber Epoxy nanocomposites Fracture toughness Synergistic toughening effect

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Bayesian optimization with adaptive surrogate models for automated experimental design

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npj Computational materials 2021年第1期7卷 1800-1811页

作者： Bowen Lei Tanner Quinn Kirk Anirban Bhattacharya Debdeep Pati Xiaoning Qian Raymundo Arroyave Bani K.mallick Department of Statistics Texas A&M UniversityCollege StationTXUSA Department of Mechanical Engineering Texas A&M UniversityCollege StationTXUSA Department of Electrical&Computer Engineering Texas A&M UniversityCollege StationTXUSA Department of Computer Science&Engineering Texas A&M UniversityCollege StationTXUSA Department of Materials Science&Engineering Texas A&M UniversityCollege StationTXUSA

Bayesian optimization(BO)is an indispensable tool to optimize objective functions that either do not have known functional forms or are expensive to ***,optimal experimental design is always conducted within the workflow of BO leading to more efficient exploration of the design space compared to traditional *** can have a significant impact on modern scientific discovery,in particular autonomous materials discovery,which can be viewed as an optimization problem aimed at looking for the maximum(or minimum)point for the desired materials *** performance of BO-based experimental design depends not only on the adopted acquisition function but also on the surrogate models that help to approximate underlying objective *** this paper,we propose a fully autonomous experimental design framework that uses more adaptive and flexible Bayesian surrogate models in a BO procedure,namely Bayesian multivariate adaptive regression splines and Bayesian additive regression *** can overcome the weaknesses of widely used Gaussian process-based methods when faced with relatively high-dimensional design space or non-smooth patterns of objective *** simulation studies and real-world materials science case studies demonstrate their enhanced search efficiency and robustness.

关键词： functions properties optimization

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Development of Novel Carbon Fiber based Electrodes for Lithium-ion Batteries 38

Development of Novel Carbon Fiber based Electrodes for Lithi...

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38th Technical Conference of the American Society for Composites, ASC 2023

作者： Kaynan, Ozge Raj, Ayush Carrola, mia Castaneda, Homero Asadi, Amir Department of Materials Science and Engineering Texas A&M University College StationTX77843-3367 United States Department of Engineering Technology and Industrial Distribution Texas A&M University College StationTX77843-3367 United States

ISBN: (纸本)9781605956916

Carbon fiber-based structural lithium-ion batteries are attracting significant attention in the automotive and aerospace industries due to their dual capability of energy storage and mechanical load-bearing, leading to weight reduction. These batteries utilize lightweight carbon fiber (CF) composites, which offer excellent stiffness, strength-to-weight ratios, and electrical conductivity. Polyacrylonitrile-based CFs, comprising graphitic and amorphous carbon, are particularly suitable for Li-ion battery applications as they allow the storage of lithium ions. However, integrating lithium iron phosphate (LFP) into CFs poses challenges due to complex lab-scale processes and the use of toxic dispersants, hindering large-scale industrial compatibility. To address this, we investigate the development of water-based LFP-integrated CF structural Li-ion batteries. Homogeneous suspensions are created using cellulose nanocrystals (CNCs) to form hybrid structures. The battery system employs LFP-modified CF as the cathode, unsized CF as the anode, and a water-based electrolyte. The LFP-CNC-graphene nanoplatelet (GNP) hybrids are coated onto CFs through immersion coating. Scanning electron microscopy (SEm) images confirm the well-dispersed and well-adhered LFP-CNC-GNP structures on the CF surface, contributing to their mechanical interlocking and electrochemical performance. The batteries demonstrate a specific energy density of 62.67 Wh/kg and a specific capacity of 72.7 mAh/g. Furthermore, the cyclic voltammetry experiments reveal the stability of the LFP-CNC-GNP-coated CF batteries over 200 cycles without degradation. This research enables the engineering of hybrid nanostructured battery laminates using novel LFP-CNC-GNP-coated CFs, opening avenues for the development of innovative Li-ion structural batteries. © 2023 by DEStech Publications, Inc. and American Society for Composites. All rights reserved.

关键词： Carbon fibers

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