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Application of phase-field modeling in solid-state phase transformation of steels

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Journal of Iron and Steel Research(International) 2022年第6期29卷 867-880页

作者： Shao-jie Lv Shui-ze Wang Gui-lin Wu Jun-heng Gao Xu-sheng Yang Hong-hui Wu Xin-ping Mao Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing 100083China Yangjiang Branch Guangdong Laboratory for Materials Science and Technology(Yangjiang Advanced Alloys Laboratory)Yangjiang 529500GuangdongChina Department of Industrial and Systems Engineering The Hong Kong Polytechnic UniversityKowloonHong KongChina

solid-state phase transformation is usually associated with excellent mechanical properties in steel materials.A deep understanding of the formation and evolution of phase structure is essential to tailor their service performance.As a powerful tool for capturing the evolution of complex microstructures,phase-field simulation quantitatively calculates the phase structures evolution without explicit assumptions about transient microstructures.With the development of advanced numerical technology and computing ability,phase-field methods have been successfully applied to solid-state phase transformation in steels and greatly support the research and development of advanced steel materials.The phase-field simulations of solid-phase transformation in steels were summarized,and the future development was proposed.

关键词： Phase-field model solid-state phase transformation Microstructure evolution Advanced steel material Phase-field simulation

Growth mechanisms of interfacial carbides in solid-state reaction between single-crystal diamond and chromium

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Journal of Materials Science & Technology 2023年第13期144卷 138-149页

作者： Zhuo Liu Wei Cheng Dekui Mu Qiaoli Lin Xipeng Xu Han Huang Institute of Manufacturing Engineering Huaqiao UniversityXiamen 361021China School of Materials Science and Engineering Lanzhou University of TechnologyLanzhou 730000China School of Mechanical and Mining Engineering The University of QueenslandBrisbaneQLD 4072Australia

Interfacial bonding is one of the most challenging issues in the fabrication,and hence comprehensively influences the properties of diamond-based metal matrix composites(MMCs)materials.In this work,solid-state(S/S)interface reaction between single-crystal synthetic diamond and chromium(Cr)metal was critically examined with special attention given to unveil the role of crystal orientation in the for-mation and growth of interfacial products.It has been revealed that catalytically converted carbon(CCC)was formed prior to chromium carbides,which is counterintuitive to previous studies.Cr 7 C 3 was the first carbide formed in the S/S interface reaction,aided by the relaxation of diamond lattices that re-duces the interfacial mismatch.Interfacial Cr 7 C 3 and Cr 3 C 2 carbides were formed at 600 and 800℃,respectively,with the growth preferred on diamond(100)plane,because of its higher density of surface defects than(111)plane.Interfacial strain distribution was quasi-quantitively measured using windowed Fourier Transform-Geometric Phase Analysis(WFT-GPA)analysis and an ameliorated strain concentration was found after the ripening of interfacial carbides.Textured morphologies of Cr_(3)C_(2) grown on diamond(100)and(111)planes were perceived after S/S interface reaction at 1000℃,which is reported for the first time.The underlying mechanisms of Cr-induced phase transformation on diamond surface,as well as the crystal orientation dependent growth of interfacial carbides were unveiled using the first-principles calculation.The formation and growth mechanisms of Cr_(3)C_(2) were elucidated using SEM,TEM and XRD analyses.Finally,an approach for tailoring the interfacial microstructure between synthetic diamond and bonding metals was proposed.

关键词： solid-state Interface reaction Synthetic diamond Phase transformation Chromium carbide

Performance Evaluation of Composite Electrolyte with GQD for All-solid-state Lithium Batteries

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Computers, Materials & Continua 2023年第1期74卷 55-66页

作者： Sung Won Hwang Dae-Ki Hong Department of System Semiconductor Engineering SangMyung UniversityCheonan-si31066Korea

The use a stabilized lithium structure as cathode material for batteries could be a fundamental alternative in the development of next-generation energy storage devices.However,the lithium structure severely limits battery life causes safety concerns due to the growth of lithium(Li)dendrites during rapid charge/discharge cycles.solid electrolytes,which are used in highdensity energy storage devices and avoid the instability of liquid electrolytes,can be a promising alternative for next-generation batteries.Nevertheless,poor lithium ion conductivity and structural defects at room temperature have been pointed out as limitations.In this study,through the application of a low-dimensional graphene quantum dot(GQD)layer structure,stable operation characteristics were demonstrated based on Li^(+)ion conductivity and excellent electrochemical performance.Moreover,the device based on the modified graphene quantum dots(GQDs)in solid state exhibited retention properties of 95.3%for 100 cycles at 0.5 C and room temperature(RT).Transmission electronmicroscopy analysis was performed to elucidate the Li^(+)ion action mechanism in the modified GQD/electrolyte heterostructure.The low-dimensional structure of theGQD-based solid electrolyte has provided an important strategy for stably-scalable solid-state lithium battery applications at room temperature.It was demonstrated that lithiated graphene quantum dots(Li-GQDs)inhibit the growth of Li dendrites by regulating the modified Li^(+)ion flux during charge/discharge cycling at current densities of 2.2–5.5 mA cm,acting as a modified Li diffusion heterointerface.A full Li GQDbased device was fabricated to demonstrate the practicality of the modified Li structure using the Li–GQD hetero-interface.This study indicates that the low-dimensional carbon structure in Li–GQDs can be an effective approach for stabilization of solid-state Li matrix architecture.

关键词： solid-state lithium batteries composite electrolyte quantum dot graphene

Irbesartan desmotropes:solid-state characterization,thermodynamic study and dissolution properties

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Journal of Pharmaceutical Analysis 2019年第5期9卷 339-346页

作者： Andrea Mariela Araya-Sibaja Carlos Eduardo Maduro de Campos Cinira Fandaruff Jose Roberto Vega-Baudrit Teodolito Guillen-Giron Mirtha Navarro-Hoyos Silvia Lucía Cuffini Laboratorio Nacional de Nanotecnología LANOTEC-CeNAT-CONARE 1174-1200 Pavas San Jose Costa Rica Escuela de Ciencia e Ingeniería de los Materiales Tecnologico de Costa Rica Cartago 159-7050 Costa Rica Escuela de Química Universidad de Costa Rica San Pedro de Montes de Oca 2060 San Jose Costa Rica Programa de Pos-Graduacao em Física Universidade Federal de Santa Catarina Florianopolis Brazil Independent Researcher 06472-005 Barueri Sao Paulo Brazil Laboratorio de Investigacion y Tecnología de Polímeros POLIUNA Escuela de Química Universidad Nacional de Costa Rica Heredia 86-3000 Costa Rica Instituto de Ciencia e Tecnica Universidade Federal de Sao Paulo Sao Jose dos Campos Sao Paulo Brazil

Irbesartan (IBS) is a tetrazole derivative and antihypertensive drug that has two interconvertible structures, 1H- and 2H-tautomers. The difference between them lies in the protonation of the tetrazole ring. In the solid-state, both tautomers can be isolated as crystal forms A (1H-tautomer) and B (2H-tautomer). Studies have reported that IBS is a polymorphic system and its forms A and B are related monotropically. These reports indicate form B as the most stable and less soluble form. Therefore, the goal of this contribution is to demonstrate through a complete solid-state characterization, thermodynamic study and dissolution properties that the IBS forms are desmotropes that are not related monotropically. However, the intention is also to call attention to the importance of conducting strict chemical and in solid-state quality controls on the IBS raw materials. Hence, powder X-ray diffraction (PXRD) and Raman spectroscopy (RS) at ambient and non-ambient conditions, differential scanning calorimetry (DSC), hot stage microscopy (HSM), Fourier transform infrared (FT-IR) and scanning electron microscopy (SEM) techniques were applied. Furthermore, intrinsic dissolution rate (IDR) and structural stability studies at 98% relative humidity (RH), 25℃ and 40 ℃ were conducted as well. The results show that in fact, form A is approximately four-fold more soluble than form B. In addition, both IBS forms are stable at ambient conditions. Nevertheless, structural and/or chemical instability was observed in form B at 40℃ and 98% RH. IBS has been confirmed as a desmotropic system rather than a polymorphic one. Consequently, forms A and B are not related monotropically.

关键词： Irbesartan solid-state characterization Intrinsic dissolution rate Tautomerism Desmotropic forms

Integrated Extrusion-Shear Forming Process of the solid-state Recycled AZ80 Magnesium Alloy via Hot Press Sintering

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Acta Metallurgica Sinica(English Letters) 2020年第3期33卷 351-361页

作者： Bing Li Bugang Teng Baoting Zhang School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001China National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of TechnologyHarbin 150001China

The consolidation recycled AZ80 billets were successfully fabricated through the cold press and hot press sintering of the AZ80 metal chips.The consolidation recycled billets sintered at 350℃present the comparable compressive properties and inferior tensile properties compared with the initial cast billets.The defects in the consolidation recycled billet were inclined to propagate along the bond interface between the metal chips during tension,which resulted in the inferior tensile properties of the recycled billets.The recycled billets were then subjected to the integrated extrusion-shear(ES) process.The homogeneous finer dynamic recrystallization grains with an average grain size of 6 μm can be obtained in the shear deformation zone and extrusion sizing zone through integrated ES process at 300℃with an extrusion velocity of 0.6 mm/s.The recycled billets after integrated ES forming process present rival tensile properties compared with the initial cast billets after integrated ES forming with the same extrusion parameters,which can be ascribed to that the integrated ES forming can nearly eliminate the defects through the severe compressive and shear strain.The solid-state recycling process through hot press sintering and subsequent integrated ES process can fabricate the consolidation recycled AZ80 rod,which demonstrates the comparable tensile properties with the cast-extrusion rod.

关键词： solid-state recycling Hot press sintering Integrated extrusion-shear forming Metal chips Mechanical properties

solid-state phase transformation of TC11 titanium during unstable thermal cycling in laser melting deposition process

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Journal of Iron and Steel Research(International) 2019年第7期26卷 743-750页

作者： Xiao-dong Li Jin Liu Yan-yan Zhu Xu Cheng Dong Liu Ji-kui Zhang National Engineering Laboratory of Additive Manufacturing for Large Metallic Components and Engineering Research Center of Ministry of Education on Laser Direct Manufacturing for Large Metallic Components School of Materials Science and Engineering Beihang University Beijing 100191 China Beijing Yuding Additive Manufacturing Research Institute Co. Ltd. Beijing 100096 China School of Aircraft Design Beihang University Beijing 100191 China

Thermal cycling procedure during laser additive manufacturing (LAM) process causes the appearance of bright and dark patterns on the etched surface of TC11 alloy components. The formation mechanisms of these patterns and the solid-state transformation related to LAM process are systematically investigated with the predication of temperature fields using the finite element software ABAQUS. The results indicate that by increasing subsequent thermal cycles, the peak temperatures for every cycle decrease. When peak temperatures are above Tβ(phase transition temperature of β phase), which is 1010℃ in TC11 alloy, no pattern is observed. Meanwhile, a decrease in peak temperature leads to appearance of an ultrafine basket-weave α+β microstructure (dark contrast) with gradually increased amount of α colonies in the alloy. A special bimodal microstructure with ‘fork-like'α lamella appears in the layer when the peak temperatures of thermal cycles firstly fall into α+β dual-phase region. And this special bimodal microstructure gives a bright contrast and only appears at the region where the peak temperatures are below 970℃, leaving the rest region with a dark contrast. With the continuous increase in thermal cycles in α+β dual-phase region,α lamella gradually coarsens. After five thermal cycles in α+β two-phase region, no further changes in microstructure are observed, and the morphologies of α lamella in dark and bright regions are almost the same but with different amounts of α phase.

关键词： Thermal cycling Laser melting deposition TC11 solid-state phase transformation Temperature field

Designing solid-state interfaces on lithium-metal anodes: a review

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Science China Chemistry 2019年第10期62卷 1286-1299页

作者： Chen-Zi Zhao Hui Duan Jia-Qi Huang Juan Zhang Qiang Zhang Yu-Guo Guo Li-Jun Wan Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China CAS Key Laboratory of Molecular Nanostructure and Nanotechnology CAS Research/Education Center for Excellence in Molecular SciencesBeijing National Laboratory for Molecular SciencesInstitute of ChemistryChinese Academy of SciencesBeijing 100190China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China University of Chinese Academy of Sciences Beijing 100049China

Li-metal anodes are one of the most promising energy storage systems that can considerably exceed the current technology to meet the ever-increasing demand of power applications. The apparent cycling performances and dendrite challenges of Li-metal anodes are highly influenced by the interface layer on the Li-metal anode because the intrinsic high reactivity of metallic Li results in an inevitable solid-state interface layer between the Li-metal and electrolytes. In this review, we summarize the recent progress on the interfacial chemistry regarding the interactions between electrolytes and ion migration through dynamic interfaces. The critical factors that affect the interface formation for constructing a stable interface with a low resistance are reviewed. Moreover, we review emerging strategies for rationally designing multiple-structured solid-state electrolytes and their interfaces, including the interfacial properties within hybrid electrolytes and the solid electrolyte/electrode interface. Finally, we present scientific issues and perspectives associated with Li-metal anode interfaces toward a practical Li-metal battery.

关键词： lithium-metal anode solid-state electrolyte energy chemistry rechargeable lithium-metal batteries solid electrolyte/electrode interface

Pinpointing and scheduling access conflicts to improve internal resource utilization in solid-state drives

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Frontiers of Computer Science 2019年第1期13卷 35-50页

作者： Xuchao XIE Liquan XIAO Dengping WEI Qiong LI Zhenlong SONG Xiongzi GE College of Computer National University of Defense TechnologyChangsha 410073China Department of Computer Science University of MinnesotaMinneapolisMN 55455USA

Modern solid-state drives (SSDs)are integrating more internal resources to achieve higher capacity.Parallelizing accesses across internal resources can potentially enhance the performance of SSDs.However,exploiting parallelism inside SSDs is challenging owing to real-time access conflicts.In this paper,we propose a highly parallelizable I/O scheduler (PIOS)to improve internal resource utilization in SSDs from the perspective of I/O scheduling.Specifically, we first pinpoint the conflicting flash requests with precision during the address translation in the Flash Translation Layer (FTL).Then,we introduce conflict eliminated requests (CERs)to reorganize the I/O requests in the device-level queue by dispatching conflicting flash requests to different CERs.Owing to the significant performance discrepancy between flash read and write operations,PIOS employs differentiated scheduling schemes for read and write CER queues to always allocate internal resources to the conflicting CERs that are more valuable.The small dominant size prioritized scheduling policy for the write queue significantly decreases the average write latency.The high parallelism density prioritized scheduling policy for the read queue better utilizes resources by exploiting internal parallelism aggressively.Our evaluation results show that the paralle/izable I/O scheduler (PIOS)can accomplish better SSD performance than existing I/O schedulers implemented in both SSD devices and operating systems.

关键词： solid-state drive access conflict I/O scheduler internal resource utilization PIOS

Synthesis and characterization of (Ni,Sb)-co-doped rutile ceramic pigment via mechanical activation-assisted solid-state reaction

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Particuology 2018年第6期16卷 20-29页

作者： Shi Zhang Zhidong Pan Yanmin Wang School of Materials Science and Engineering South China University of TechnologyGuangzhou 510640China

(Ni,Sb)-co-doped rutile yellow ceramic pigments were synthesized via a mechanical activation-assisted solid-state reaction in a stirred bead mill.The effects of mechanical grinding of the raw materials on the synthesis of (Ni,Sb)-co-doped rutile pigment were investigated.The results show that mechanical activation effectively decreased the crystallinity of the mixed precursors,thus enhancing their reactivity and the migration rate of ions.These effects lowered the temperature required for formation of the rutile phase.Compared with results from a mixture of separately ground precursors,the mixture of raw materials ground together was more effective for accelerating nickel/antimony ions doping into the TiO2structure and improved the color performance of the pigment.The pigment from the mixed raw materials ground for 2.0h and heat-treated at 1100℃ could be used as an environmentally-friendly ceramic yellow pigment owing to its low-toxicity,bright yellow hue,good chemical/thermal durability, and high cost-effectiveness.

关键词： Mechanical activation solid-state synthesis (Ni,Sb)-co-doped rutile Ceramic pigment