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microstructural optimization of alloys using a genetic algorithm

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING 2004年第1-2期372卷 213-220页

作者： Kulkarni, AJ Krishnamurthy, K Deshmukh, SP Mishra, RS Univ Missouri Dept Met Engn Rolla MO 65409 USA Univ Missouri Dept Mech & Aerosp Engn & Engn Mech Rolla MO 65409 USA

A methodology is presented to tailor the microstructure of alloys for developing "materials by design." Theoretical and phenomenological models are used to correlate the microstructure to macroscopic properties, and a genetic algorithm (GA) is used to synthesize the optimal microstructure for satisfying user-defined design requirements. Simulated results are presented for an Al-Mg-Sc-Zr alloy considering low temperature strength, ductility, and high temperature strength as the macroscopic properties of interest. The efficacy of the optimization scheme is also evaluated by comparing the GA results with the global optimal values obtained by searching the entire solution space. The results presented show that the methodology lends itself well to realize the concept of "materials by design." (C) 2003 Elsevier B.V. All rights reserved.

关键词： "materials by design" genetic algorithm microstructural optimization aluminum alloys

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microstructural optimization of mordenite membrane for pervaporation dehydration of acetic acid

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JOURNAL OF MEMBRANE SCIENCE 2012年 411卷 182-192页

作者： Chen, Zan Li, Yinhui Yin, Dehong Song, Yanmei Ren, Xiuxiu Lu, Jinmin Yang, Jianhua Wang, Jinqu Dalian Univ Technol Sch Chem Engn Inst Adsorpt & Inorgan Membrane State Key Lab Fine Chem Dalian 116012 Peoples R China CNOOC Tianjin Chem Res & Design Inst Key Lab Catalyt Technol Tianjin 300131 Peoples R China

The crystallization of defect-free, acid-proof film microstructure is consistently pursued for making hydrophilic pervaperation (PV) membranes popular in process industries. We show that a novel modified secondary growth method can fabricate high-PV-performance, excellent-acid-stability mordenite membranes by eliminating grain boundary defects, dramatically by optimizing film microstructure. This method consists of growing the assembled nanocrystals of an ultrathin seed layer to a well-intergrown film directly on a macroporous support at a relatively low crystallization temperature (150 degrees C) by avoiding events that lead to an acid nonresistant film microstructure, such as the formation of Al-rich film surface and grain boundaries. Fluoride anions are used as mordenite crystal structure modifiers to optimize distribution of aluminum atoms in zeolitic film, so grain boundaries can be kept intact for long-term acidic corrosion. The polycrystalline films are ultrathin (3-4 mu m), and oriented with different Si/Al ratios (5.6-20.1). Comparison with conventional synthesized membranes shows that these microstructurally optimized membranes have superior PV performance and acid stability for the dehydration of high-concentration acetic acid (AcOH) mixtures. (c) 2012 Elsevier B.V. All rights reserved.

关键词： Pervaporation Zeolite membrane Grain boundary defects microstructural optimization Water/acetic acid mixture

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microstructural optimization of functionally graded composites subjected to a thermal gradient via the coupled higher-order theory

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COMPOSITES PART B-ENGINEERING 1997年第1-2期28卷 93-108页

作者： Aboudi, J Pindera, MJ Arnold, SM UNIV VIRGINIA CHARLOTTESVILLE VA 22901 USA TEL AVIV UNIV FAC ENGN IL-69978 RAMAT AVIV ISRAEL NASA LEWIS RES CTR CLEVELAND OH 44135 USA

A recently developed higher-order theory for the response of a functionally graded composite plate subjected to a through-thickness thermal gradient is employed to optimize the composite's microstructure. The higher-order theory explicitly couples the microstructural and macrostructural effects, thereby providing a rational methodology for analyzing the response of functionally graded materials, typically analyzed using the standard uncoupled micromechanics approach, which often produces erroneous results. Herein, the higher-order theory is incorporated into an optimization algorithm to determine optimal through-thickness distributions of the reinforcement phase in a composite plate subjected to a thermal gradient that minimize the inplane moment resultant, and thus the tendency of the plate to bend about an axis. The results indicate that the manner of constraining the plate from bending due to the thermal gradient is a major factor that governs the optimal reinforcement phase distributions. (C) 1997 Elsevier Science Limited.

关键词： microstructural optimization higher-order theory FGMs

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Simulation-based microstructural optimization of solid oxide fuel cell for low temperature operation

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 2016年第31期41卷 13632-13643页

作者： Abdullah, Taufiq Liu, Lin Univ Kansas Dept Mech Engn Lawrence KS 66045 USA

Despite immense potential, the widespread application of solid oxide fuel cells (SOFCs) is hindered by high operating temperatures. Successfully tailoring the microstructures of SOFC electrodes can offset adverse effects of lowering operating temperatures. Our previous work considered functionally graded anode, however, further investigation needs to be done on the cell level optimization of SOFCs considering both anode and cathode to lower cell operating temperature. In this paper, a complete cell level multi-scale polarization model has been developed assuming the electrode particles to be randomly packed spheres. Micro-and macro-models are developed separately and then integrated to establish a cell level model. Suzuki's model is adopted for micro-modeling with ionic electronic particle size ratio limited from 0.1547 to 6.646. The results of this modeling work closely match the referenced literature. Simulation results show that the performance of SOFCs can be improved with tailored microstructures. The power output of SOFC with nonlinearly graded electrodes shows 28% improvement compared to SOFC with linearly graded electrodes. Moreover, the combination of nonlinear particle-size- and porosity-graded electrodes enable SOFCs to operate at a reduced temperature (as low as 873 K) while maintaining the performance at high temperature of 1273 K. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

关键词： Solid oxide fuel cell Low temperature Grading microstructural optimization Numerical simulation

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Compositional and microstructural optimization and mechanical-property enhancement of cast Ti alloys based on Ti-6A1-4V alloy

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MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING 2017年 704卷 91-101页

作者： Luan, J. H. Jiao, Z. B. Liu, W. H. Lu, Z. P. Zhao, W. X. Liu, C. T. City Univ Hong Kong Ctr Adv Struct Mat Dept Mech & Biomed Engn Hong Kong Hong Kong Peoples R China Hong Kong Polytech Univ Dept Mech Engn Hong Kong Hong Kong Peoples R China Univ Sci & Technol Beijing State Key Lab Adv Met & Mat Beijing 100083 Peoples R China

The effects of alloying additions on the microstructure and mechanical properties of cast Ti alloys based on Ti6Al-4V were systematically investigated through a combination of thermodynamic calculations and experimental verifications. New cast titanium alloys with significantly improved properties were developed through combining thermodynamic calculations and physical metallurgy principles, which achieve an optimum combination of high strength and high ductility at both room and elevated temperatures. Our analysis indicates that the improved strength is due mainly to the a colony and lath size refinement induced by both macro- and micro alloying of Cr, Fe, B and C elements, whereas the mechanisms for such property optimization include: (1) an increased volume fraction of ductile 13 phase in the cast state, (2) a refined a colony and lath size by the Cr, Fe, B and C alloying additions, and (3) an enhanced grain-boundary cohesion and refined grain size of prior-beta grains induced by proper amount of B additions. The newly developed cast Ti alloys with substantially enhanced mechanical properties for engineering applications.

关键词： Cast titanium alloy microstructural optimization Mechanical property Thermodynamic calculation Alloy design

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Ns-kriging based microstructural optimization applied to minimizing stochastic variation of homogenized elasticity of fiber reinforced composites

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STRUCTURAL AND MULTIDISCIPLINARY optimization 2009年第5期38卷 443-453页

作者： Sakata, S. Ashida, F. Shimane Univ Interdisciplinary Fac Sci & Engn Dept Elect & Control Syst Engn Matsue Shimane 6908504 Japan

This paper describes an approximate microstructural optimization using the ns-kriging (noise-resistant smoothed kriging) method for minimizing the maximum stochastic variation of homogenized elastic properties of a composite material caused by microscopic uncertainties of component materials. Since evaluation of a stochastic characteristic of a homogenized material property such as expectation or variance will involve a high computational cost and its results include inaccuracy in using the Monte Carlo simulation, an approximation-based optimization technique is useful for solving the optimization problem considering the multiscale stochastic problem. Especially, the ns-kriging will work well in case of using inaccurate data for an unknown objective function. In order to investigate applicability and effectiveness of the proposed ns-kriging based approach to the optimization problem, it is applied to the cross-sectional shape optimization of fiber in a unidirectional FRP. From the numerical results, validity and effectiveness of the proposed approach are confirmed.

关键词： Stochastic homogenization problem microstructural optimization Kriging method Variance minimization Approximate optimization

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microstructural optimization and mechanical enhancement of SLM Ti6Al4V TPMS scaffolds through vacuum annealing treatment

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JOURNAL OF ALLOYS AND COMPOUNDS 2023年 934卷

作者： Ge, Jinguo Huang, Qing Wang, Yao Zhang, Chao Liu, Qingyuan Lu, Zhao Yin, Shuo Yangzhou Univ Coll Mech Engn Yangzhou 225127 Peoples R China Guilin Univ Elect Technol Sch Mech & Elect Engn Guilin 541010 Peoples R China Guilin Univ Elect Technol Sch Mat Sci & Engn Guilin 541010 Peoples R China

Ti6Al4V triply periodic minimal surfaces (TPMS) scaffolds having a porosity of 70 % and pore size of 500-600 mu m were deposited by selective laser melting (SLM), and the effect of vacuum annealing treatment (VAT) on its microstructural optimization and mechanical enhancement were explored. The results showed that only microscopic regular pore defects formed within SLM scaffolds, and VAT had no positive effect on reducing or eliminating porosity. However, VAT induced narrowly weak beta(110) and beta(200) diffraction peaks and transformed the fully acicular alpha`/alpha-martensites into long-rod-shaped alpha martensites within beta matrix. Nanoindentation properties of VAT samples were slightly deteriorated, which is mainly caused by coarsened alpha and soft beta phase formation in absence of acicular alpha`/alpha. In contrast with the negligible modified com-pression elastic modulus and maximum compression strength after VAT, the compression energy absorp-tion capacity and tensile strength were enhanced by 14.5 % and 17.3 %, respectively. Tensile fracture position shifted from the bulk-lattice boundary with quasi-cleavage failure mechanism to the mid-position of lattice region with ductile fracture mode, exhibiting excellent tensile ductility with an increment of about 200 % in elongation. Conclusively, VAT is an effective method to alter the brittle alpha`/alpha-martensites into the size-moderate alpha + beta mixture, simultaneously improving the mechanical strength and ductility of Ti6Al4V TPMS scaffolds.(c) 2022 Published by Elsevier B.V.

关键词： SLM Ti6Al4V scaffolds Triply periodic minimal surfaces Vacuum annealing treatment microstructural optimization Mechanical enhancement

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microstructural design of composite materials using fixed-grid modeling and noise-resistant smoothed Kriging-based approximate optimization

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STRUCTURAL AND MULTIDISCIPLINARY optimization 2008年第3期36卷 273-287页

作者： Sakata, S. Ashida, F. Zako, M. Shimane Univ Interdisciplinary Fac Sci & Engn Dept Elect Control Syst Engn 1060 Nishikawatsu Cho Matsue Shimane 6908504 Japan Osaka Univ Grad Sch Engn Dept Management Ind & Technol Suita Osaka 5650871 Japan

This paper discusses a microstructural optimization of composites using a fixed-grid modeling technique and an approximate optimization approach. In particular, we design a microscopic structure of composites to improve its reliability. As the response surface becomes nonlinear and inaccuracies may be included in the sampling results in using the fixed-grid model, applicability of several approximation methods such as a polynomial-based approach, neural network, and Kriging method are investigated. Especially, the inaccuracy is regarded as a noise in sampling data, and applicability of the noise-resistant smoothed Kriging (ns-Kriging) is investigated. As an example, cross-sectional shape of fiber in a unidirectional fiber-reinforced plastics is optimized. By applying several approximate optimization methods to the problem, applicability of those methods is investigated. Next, cross-sectional shape of fibers in a composite plate subject to bending and compression is optimized using the ns-Kriging-based method. Numerical results illustrate applicability of the proposed approach.

关键词： microstructural optimization approximate optimization noise-resistant kriging method fixed-grid modeling composite material

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AI-Powered Very-High-Cycle Fatigue Control: Optimizing microstructural Design for Selective Laser Melted Ti-6Al-4V

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MATERIALS 2025年第7期18卷

作者： Awd, Mustafa Walther, Frank Bremen City Univ Appl Sci HSB Inst Informat & Automat IIA Flughafenallee 10 D-28199 Bremen Germany Testia GmbH Airbus Grp Cornelius Edzard Str 15 D-28199 Bremen Germany TU Dortmund Univ Fac Mech Engn Chair Mat Test Engn WPT Baroper Str 303 D-44227 Dortmund Germany

Integrating machine learning into additive manufacturing offers transformative opportunities to optimize material properties and design high-performance, fatigue-resistant structures for critical applications in aerospace, biomedical, and structural engineering. This study explores mechanistic machine learning techniques to tailor microstructural features, leveraging data from ultrasonic fatigue tests where very high cycle fatigue properties were assessed up to 1x1010 cycles. Machine learning models predicted critical fatigue thresholds, optimized process parameters, and reduced design iteration cycles by over 50%, leading to faster production of safer, more durable components. By refining grain orientation and phase uniformity, fatigue crack propagation resistance improved by 20-30%, significantly enhancing fatigue life and reliability for mission-critical aerospace components, such as turbine blades and structural airframe parts, in an industry where failure is not an option. Additionally, the machine learning-driven design of metamaterials enabled structures with a 15% weight reduction and improved yield strength, demonstrating the feasibility of bioinspired geometries for lightweight applications in space exploration, medical implants, and high-performance automotive components. In the area of titanium and aluminum alloys, machine learning identified key process parameters such as temperature gradients and cooling rates, which govern microstructural evolution and enable fatigue-resistant designs tailored for high-stress environments in aircraft, biomedical prosthetics, and high-speed transportation. Combining theoretical insights and experimental validations, this research highlights the potential of machine learning to refine microstructural properties and establish intelligent, adaptive manufacturing systems, ensuring enhanced reliability, performance, and efficiency in cutting-edge engineering applications.

关键词： machine learning additive manufacturing very high cycle fatigue (VHCF) resistance microstructural optimization process parameter optimization

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Numerical study on enhanced electrochemical performance of hydrogen compressor electrodes by controlled phase alignment

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JOURNAL OF POWER SOURCES 2025年 641卷

作者： Navarro-Montejo, A. Pacheco, C. Ortegon, J. Barbosa, Romeli Ctr Invest Cient Yucatan Carretera Sierra Papacal Chuburna PuertoSierra Pa Sierra Papacal 97302 Merida Mexico Univ Quintana Roo Div Ciencias & Ingn Blvd Bahia S-N Chetmal 77019 Quintana Roo Mexico

The microstructure of an electrochemical hydrogen compressor electrode significantly influences transport properties and global electrochemical performance. This study employs the finite volume method to determine three effective transport coefficients (ETCs)-electronic (sigma(e-) (ETC)), protonic (sigma(H+)(ETC)), and hydrogen diffusivity -along with the effective platinum area (CLeff,Pt). Using Simulated Annealing Reconstruction, microstructures transition from an ordered bar-aligned state to a fully disordered configuration. Results show that ETCs decrease with disorder, while CLeff,Pt increases. Porosity enhances H-2 diffusion, ionomer content impacts ion diffusion and electronic conductivity, and Pt/C primarily affects CLeff,Pt. A 10 % increase in porosity reduces sigma(e-) (ETC) by 24.15 %, while a 20 % increase in Pt/C enhances sigma(e-) (ETC) by 259.46 %. A slight increase in alignment improves the power density (4.65-26.56 %) while balanced compositions (30 % porosity, 30-50 % Pt/C, 30-40 % ionomer) optimize electrochemical efficiency. These findings provide insights for optimizing EHC electrode performance under high current densities.

关键词： microstructural optimization Current density performance Two scales microstructure Pt area efficiency Transport coefficients Hydrogen diffusion

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