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Subdivision Surface-Based Isogeometric Boundary Element Method for Steady Heat Conduction Problems with Variable Coefficient

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Computer Modeling in engineering & sciences 2021年第10期129卷 323-339页

作者： Xiuyun Chen Xiaomeng Yin Kunpeng Li Ruhui Cheng Yanming Xu Wei Zhang School of Architectural Engineering Huanghuai UniversityZhumadian463003China College of Intelligent Construction Wuchang University of TechnologyWuhan430223China College of Civil Engineering and Architecture China Three Gorges UniversityYichang443000China CAS Key Laboratory of Mechanical Behavior and Design of Materials Department of Modern MechanicsUniversity of Science and Technology of ChinaHefei230026China

The present work couples isogeometric analysis(IGA)and boundary element methods(BEM)for three dimensional steady heat conduction problems with variable *** Computer-Aided Design(CAD)geometries are built by subdivision surfaces,and meantime the basis functions of subdivision surfaces are employed to discretize the boundary integral equations for heat conduction ***,the radial integration method is adopted to transform the additional domain integrals caused by variable coefficients to the boundary *** numerical examples are provided to demonstrate the correctness and advantages of the proposed algorithm in the integration of CAD and numerical analysis.

关键词： Subdivision surface isogeometric boundary element method heat conduction radial integration

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Accelerated Multi-Objective Alloy Discovery Through Efficient Bayesian Methods: Application to the FCC High Entropy Alloy Space

SSRN

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SSRN 2025年

作者： Hastings, Trevor Mulukutla, Mrinalini Khatamsaz, Danial Salas, Daniel Xu, Wenle Lewis, Daniel Person, Nicole Skokan, Matthew Miller, Braden Paramore, James Butler, Brady Allaire, Douglas Attari, Vahid Karaman, Ibrahim Pharr, George M. Srivastava, Ankit Arróyave, Raymundo Department of Materials Science and Engineering College StationTX77843-3003 United States DEVCOM Army Research Laboratory South at Texas A&M University College StationTX77843-3003 United States Texas A&M University Department of Mechanical Engineering College StationTX77843 United States

This study introduces BIRDSHOT, an integrated Bayesian materials discovery framework designed to efficiently explore complex compositional spaces while optimizing multiple material properties. We applied this framework to the CoCrFeNiVAl FCC high entropy alloy (HEA) system, targeting three key performance objectives: ultimate tensile strength/yield strength ratio, hardness, and strain rate sensitivity. The experimental campaign employed an integrated cyber-physical approach that combined vacuum arc melting (VAM) for alloy synthesis with advanced mechanical testing, including tensile and high-strain-rate nanoindentation testing. By incorporating batch Bayesian optimization schemes that allowed the parallel exploration of the alloy space, we completed five iterative design-make-test-learn loops, identifying a non-trivial three-objective Pareto set in a high-dimensional alloy space. Notably, this was achieved by exploring only 0.15% of the feasible design space, representing a significant acceleration in discovery rate relative to traditional methods. This work demonstrates the capability of BIRDSHOT to navigate complex, multi-objective optimization challenges and highlights its potential for broader application in accelerating materials discovery. © 2025, The Authors. All rights reserved.

关键词： Tensile testing

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Dynamical correlations leading to site and orbital selective Mott insulator transition in hydrogen doped SmNiO3

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Physical Review B 2024年第20期109卷 205124-205124页

作者： Soumya S. Bhat Vijay Singh Uthpala Herath Bilvin Varughese Subramanian K. R. S. Sankaranarayanan Hyowon Park Aldo H. Romero Department of Physics and Astronomy West Virginia University Morgantown West Virginia 26506 USA Department of Physics GITAM School of Science Bangalore 561203 India Department of Mechanical and Industrial Engineering University of Illinois Chicago Illinois 60607 USA Center for Nanoscale Materials Argonne National Laboratory Argonne Illinois 60439 USA Department of Physics University of Illinois at Chicago University of Illinois Chicago Illinois 60607 USA Materials Science Division Argonne National Laboratory Argonne Illinois 60439 USA

Electron doping induces metal-to-insulator transition (MIT) in SmNiO3 as realized by experiments. While earlier density functional theory (DFT) studies with static correlations fell short of explaining the recent MIT observations at lower hydrogen concentrations, we present a comprehensive computational investigation employing an advanced approach. We combine DFT with dynamical mean field theory (DFT+DMFT) to efficiently analyze the insulating behavior of hydrogen-doped SmNiO3. In contrast to previous theoretical works, our calculations predict an insulator transition occurring at a reduced doping level of H:Ni = 0.5:1. Specifically, while the DFT+U method reveals a gap opening between p−to−d orbitals, the DMFT approach highlights a gap opening between d−to−d orbitals. Our findings uncover a selective Mott transition in site and orbital characteristics, with the Ni ions proximate to the doped hydrogen exhibiting Mott-like traits. Notably, DMFT calculations highlight a pronounced dependence on Hund's parameter J, implying the presence of Hundness in the Mott insulator. This study underscores the necessity of accounting for dynamical correlations to accurately describe the electronic structure of strongly correlated electron-doped rare-earth nickelates.

关键词： Electronic structure First-principles calculations Metal-insulator transition Nickelates Strongly correlated systems Dynamical mean field theory

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High-Throughput Alloy and Process Design for Metal Additive Manufacturing

SSRN

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SSRN 2023年

作者： Sheikh, Sofia Vela, Brent Honarmandi, Pejman Morcos, Peter Shoukr, David Kotb, Abdelrahman Mostafa Karaman, Ibrahim Elwany, Alaa Arróyave, Raymundo Department of Materials Science and Engineering Texas A&M University College StationTX United States Department of Mechanical Engineering Texas A&M University College StationTX United States Department of Industrial and Systems Engineering Texas A&M University College StationTX United States

Designing alloys for additive manufacturing (AM) presents significant opportunities, but the chemical composition and processing conditions required for printability (ie., their suitability for fabrication via AM) are difficult to explore using solely experimental means. In this work, we develop a high-throughput (HTP) computational framework to guide the search for highly printable alloys and appropriate processing parameters. The framework uses material properties from state-of-the-art databases, processing parameters, and simulated melt pool profiles to predict process-induced defects, such as lack-of-fusion, keyholing, and balling. We accelerate the assessment of printability using a deep learning surrogate for a thermal model, enabling a 1,000-fold acceleration in the assessment of the printability of a given alloy at no loss in accuracy when compared with conventional physics-based thermal models. We verify and validate the framework by constructing printability maps for the CoCrFeMnNi Cantor alloy system and comparing our predictions to an exhaustive 'in-house' database. The framework enables the systematic investigation of the printability of a wide range of alloys in the broader Co-Cr-Fe-Mn-Ni HEA system. We identified the most promising alloys that were suitable for high-temperature applications and had the narrowest solidification ranges, and that was the least susceptible to balling, hot-cracking, and the formation of macroscopic printing defects. A new metric for the global printability of an alloy is constructed and is further used for the ranking of candidate alloys. It is expected that the proposed framework could be integrated into ICME approaches to accelerate the discovery and optimization of novel high-performance, printable alloys. © 2023, The Authors. All rights reserved.

关键词： 3D printing

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Shrinkage of alginate hydrogel bioinks potentially used in 3d bioprinting technology 3rd

Shrinkage of alginate hydrogel bioinks potentially used in 3...

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3rd International Symposium on Material science and engineering, ISMSE 2020 and 4th International Conference on Advanced Material and engineering Structural Technology, ICAMEST 2020

作者： Labowska, Magdalena Beata Jankowska, Agnieszka Maria Michalak, Izabela Detyna, Jerzy Department of Mechanics Materials and Biomedical Engineering Faculty of Mechanical Engineering Wroclaw University of Science and Technology Smoluchowskiego 25 Wroclaw50-370 Poland Faculty of Chemistry Wroclaw University of Science and Technology Smoluchowskiego 25 Wroclaw50-370 Poland

ISBN: (纸本)9783035717952

Hydrogels are cross-linked polymeric structures, which consist of up to approximately 90% water, the remainder is polymer chain. Retention of large volumes of water in the intermolecular space is related to the presence of hydrophilic functional groups in the network. The unique hydrogels properties, such as porosity, and biological and mechanical properties, make them suitable for a wide range of applications, especially in the medical sector. Furthermore, ease of modification and good printability are expected in 3D bioprinting technologies. Nevertheless, to maintain their structure and softness, hydrogels must be stored in suitable conditions to prevent water vaporization. The water removal from the hydrogel network results in weight reduction, structural and volumetric changes. It is a considerable challenge for the printouts manufactured by 3D bioprinting technology, where hydrogel products are exposed to drying during the production process, which may affect their shape change and shrinkage. The paper presents a cross-linking process of a hydrogel based on sodium alginate and the shrinkage of dried hydrogels depending on the cross-linking procedure. An investigation focused on the alginate hydrogel water content, as well as shrinkage of alginate hydrogel degree depending on the concentration of the cross-linking (CaCl2) solution and the duration of the process. For longer cross-linking time or using higher cross-linking agent concentration, the crosslinking was more efficient. However, it is necessary to optimize the parameters for the bioprinting process. © 2021 Trans Tech Publications Ltd, Switzerland.

关键词： Shrinkage

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Algal biomass based bio-refineries: Concurrent pre-treatment strategies and perspectives for sustainable feedstock

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Biomass and Bioenergy 2024年 187卷

作者： Shashikumar, Uday Ranjan, Kumar Rakesh Sharma, Ankit Naina Subramanian, Balaji Tsai, Pei-Chien Lin, Yuan-Chung Lay, Chyi-How Wang, Chin-Tsan Biswas, Shelly Ponnusamy, Vinoth Kumar Department of Medicinal and Applied Chemistry Kaohsiung Medical University Kaohsiung City 807 Taiwan Department of Chemistry Amity Institute of Applied Sciences Amity University Uttar Pradesh Noida201303 India Department of Mechanical Engineering SRM Institute of Science and Technology Kattankulathur Tamil Nadu Chennai603203 India Institute of Environmental Engineering National Sun Yat-Sen University Taiwan Master Program of Green Energy Science and Technology Feng Chia University Taiwan Department of Mechanical and Electro-Mechanical Engineering National I-Lan University I Lan Taiwan Department of Space Engineering and Rocketry Birla Institute of Technology Mesra Jharkhand Ranchi835215 India 807 Kaohsiung City Taiwan 807 Kaohsiung City Taiwan Department of Computational Biology Institute of Bioinformatics Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences Tamil Nadu Chennai602105 India Institute of Aquatic Science and Technology National Kaohsiung University of Science and Technology Kaohsiung City81157 Taiwan Department of Food Science National Pingtung University of Science and Technology Pingtung91201 Taiwan

The quest for viable and scalable biofuel sources has been at the forefront of scientific innovation for the past three decades. Due to its rich chemical constituents, microalgal biomass has emerged as a pivotal sustainable and scalable feedstock for biorefineries. This comprehensive review critically analyzes the different types of microalgae feedstock, concurrent extraction technologies, bio-pre-treatment procedures, and the key chemical and physical parameters influencing lipid formation and algal biofuel production. We propose a novel approach of photo-initiated culturing of algal biomass using photobioreactors (PBRs) to address the limitations of concurrent space and time-related constraints. The innovative photo bio-refinery strategy presented herein aims to enhance sustainability factors while minimizing emissions, catering to the needs of futuristic non-electric vehicles. A comparative quality analysis of microalgae-derived biofuel against conventional fossil fuels and other biofuels is conducted, considering chemical, environmental, economic, and social perspectives. Furthermore, we elucidate the efficacy of bio-pre-treatment strategies such as dehydration, hydrothermal liquefaction, pyrolysis, and gasification in optimizing biofuel production. The proposed photo biorefineries exhibit the potential to yield a diverse range of value-added products, including biodiesel, biogases, bio-fertilizers, bio-pesticides, bio-alcohols, dyes, proteins, carotenoids, and drug vitals. This review provides a comprehensive framework for the development of sustainable and efficient microalgae-based biorefineries, paving the way for a greener and more economically viable future in the biofuel industry. © 2024 Elsevier Ltd

关键词： Feedstocks

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Corrosion behaviour of cobalt-based coatings with ruthenium additions in synthetic mine water

Results in Materials

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Results in materials 2024年 21卷

作者： Hango, Silas I. Cornish, Lesley A. van der Merwe, Josias W. Chown, Lesley H. Kavishe, Frank P.L. School of Chemical and Metallurgical Engineering DSI-NRF Centre of Excellence in Strong Materials and African Materials Science and Engineering Network (AMSEN): Hosted by the University of the Witwatersrand Private Bag 3 WITS Johannesburg 2050 South Africa Department of Mechanical and Metallurgical Engineering University of Namibia P.O. Box 3624 Ongwediva Namibia

The corrosion behaviour of two cobalt-based coatings (ULTIMET™ and STELLITE™ 6) with zero, 0.3 and 0.6 wt% ruthenium were studied and compared with two cobalt-based bulk alloys (ULTIMET™ and STELLITE™ 6B) in synthetic mine water (pH values of 6, 3 and 1) using potentiodynamic polarisation. The coatings demonstrated wider ranges of passivation behaviour (from −250 mV to 750 mV) than the bulk alloys. The corrosion potential became more positive and the active-passive transition reduced with increased Ru. The best coating was STELLITE™ 6 with 0.6 wt% Ru, which exhibited the lowest corrosion rates: 3.6 μm/y at pH 6 and 6.4 μm/y at pH 3. © 2024

关键词： Coatings Cobalt-based alloys Corrosion Passivation Potentiodynamic polarisation Ru additions

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Skin Controlled Electronic and Neuromorphic Tattoos

arXiv

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arXiv 2024年

作者： Kireev, Dmitry Koripally, Nandu Liu, Samuel Fleming, Gabriella Coloyan Varkey, Philip Belle, Joseph Mohan, Sivasakthya Han, Sang Sub Xu, Dong Jung, Yeonwoong Duan, Xiangfeng Incorvia, Jean Anne C. Akinwande, Deji Chandra Department of Electrical and Computer Engineering The University of Texas at Austin AustinTX United States Department of Biomedical Engineering University of Massachusetts Amherst AmherstMA United States Department of Electrical and Computer Engineering University of California San Diego La Jolla CA United States Walker Department of Mechanical Engineering The University of Texas at Austin AustinTX United States Department of Materials Science and Engineering The University of Texas at Austin AustinTX United States Texas Materials Institute The University of Texas at Austin AustinTX United States NanoScience Technology Center University of Central Florida OrlandoFL United States Department of Materials Science and Engineering University of California Los Angeles Los AngelesCA United States Department of Materials Science and Engineering University of Central Florida OrlandoFL United States Department of Chemistry and Biochemistry University of California Los Angeles Los AngelesCA United States California NanoSystems Institute University of California Los Angeles Los AngelesCA United States Department of Biomedical Engineering The University of Texas at Austin AustinTX United States

Wearable human activity sensors developed in the past decade show a distinct trend of becoming thinner and more imperceptible while retaining their electrical qualities, with graphene e-tattoos, as the ultimate example. A persistent challenge in modern wearables, however, is signal degradation due to the distance between the sensor's recording site and the signal transmission medium. To address this, we propose here to directly utilize human skin as a signal transmission medium as well as using low-cost gel electrodes for rapid probing of 2D transistor-based wearables. We demonstrate that the hypodermis layer of the skin can effectively serve as an electrolyte, enabling electrical potential application to semiconducting films made from graphene and other 2D materials placed on top of the skin. Graphene transistor tattoos, when biased through the body, exhibit high charge carrier mobility (up to 6500 cm2V-1s-1) with MoS2 and PtSe2 transistors showing mobilities up to 30 cm2V-1s-1 and 1 cm2V-1s-1 respectively. Finally, by introducing a layer of Nafion to the device structure, we observed neuromorphic functionality, transforming these e-tattoos into neuromorphic bioelectronic devices controlled through the skin itself. The neuromorphic bioelectronic tattoos have the potential for developing self-aware and stand-alone smart wearables, crucial for understanding and improving overall human performance. © 2024, CC BY.

关键词： Semiconducting films

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The journey of multifunctional bone scaffolds fabricated from traditional toward modern techniques

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Bio-Design and Manufacturing 2020年第4期3卷 281-306页

作者： Ashkan Bigham Firoozeh Foroughi Erfan Rezvani Ghomi Mohammad Rafienia Rasoul Esmaeely Neisiany Seeram Ramakrishna Department of Biomaterials Tissue Engineering and NanotechnologySchool of Advanced Technologies in Medicine(ATiM)Isfahan University of Medical SciencesIsfahanIran Department of Materials Science and Engineering Faculty of EngineeringNational University of Singapore9 Engineering Drive 1Singapore 117576Singapore Department of Mechanical Engineering Center for Nanofibers and NanotechnologyNational University of SingaporeSingapore 119260Singapore Biosensor Research Center Isfahan University of Medical SciencesIsfahanIran Department of Materials and Polymer Engineering Faculty of EngineeringHakim Sabzevari University*** SabzevarIran

As a bone scaffold,meeting all basic requirements besides dealing with other bone-related issues-bone cancer and accelerated regeneration-is not expected from traditional scaffolds,but a newer class of scaffolds called *** a clinical point of view,being a multifunctional scaffold means reducing in healing time,direct costs-medicine,surgery,and hospitalization-and indirect costs-loss of mobility,losing job,and *** main aim of the present review is following the multifunctional bone scaffolds trend to deal with both bone regeneration and cancer *** consideration is given to different fabrication techniques which have been applied to yield these materials spanning from traditional to modern ***,the hierarchical structure of bone plus bone cancers and available medicines to them are introduced to familiarize the potential reader of review with the pluri-disciplinary essence of the ***,a brief discussion relating to the future trend of these materials is provided.

关键词： Multifunctional scaffolds Bone cancer Fabrication techniques Bone tissue regeneration

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Emerging Neuroimaging Approach of Hybrid EEG-fNIRS Recordings: Data Collection and Analysis Challenges

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Data science in science 2024年第1期3卷

作者： Pinto-Orellana, Marco Antonio Khan, Haroon Ombao, Hernando Mirtaheri, Peyman Biomedical Engineering Department University of California Irvine Irvine CA United States Department of Mechanical Electronics and Chemical Engineering Oslomet–Oslo Metropolitan University Oslo Norway Statistics Program King Abdullah University of Science and Technology Thuwal Saudi Arabia

The hybrid EEG-fNIRS (electroencephalogram - functional near-infrared spectroscopy) modality provides a comprehensive understanding of brain activity by simultaneously capturing electrical and hemodynamic responses. It takes advantage of the temporal resolution in EEG with the good spatial resolution of fNIRS. This hybrid system is non-invasive, portable, and relatively affordable compared to functional magnetic resonance imaging (fMRI). Despite its inherent limitations, EEG-fNIRS systems can be a valuable tool in neuroimaging, suitable for cognitive and clinical research that requires temporal and spatial information about brain function. They are well-suited in naturalistic experimental settings, brain-computer interface applications, and disease diagnosis. This paper also explores electro-metabolic interactions in the motor cortex during left- and right-hand grip tasks. We analyzed cross-frequency coupling (CFC) between delta rhythms (0–4Hz) and oxyhemoglobin (HbO) and deoxyhemoglobin (HbR) concentrations calculated from fNIRS. CFC was estimated as the correlation between HbO, HbR, and the instantaneous amplitude of delta signals. CFC cannot be studied with non-synchronous measurements and is not directly related to activation amplitudes. Based on previous fMRI-EEG studies, some categories of oscillations denote a negligible correlation with fNIRS signals. However, our results showed a contra-lateral coupling between delta-EEG and HbO with significant pattern differences in the left motor cortex. © 2024 The Author(s). Published with license by Taylor & Francis Group, LLC.

关键词： cross-frequency coupling data pre-processing electrical-hemodynamic coupling Hybrid EEG-fNIRS statistical modeling synchronization

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