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Crystal plasticity finite element simulations on extruded Mg-10Gd rod with texture gradient

Journal of Magnesium and Alloys 2024年第8期12卷 3409-3430页

作者： Jaeseong Lee dirk steglich Youngung Jeong Department of Materials Convergence and System Engineering Changwon National University25 Changwondaehak-roChangwonRepublic of Korea Helmholtz-Zentrum Hereon Institute of Material Systems ModelingD-21502 GeesthachtGermany School of Materials Science and Engineering Changwon National University25 Changwondaehak-roChangwonRepublic of Korea

The mechanical properties of an extruded Mg-10Gd sample, specifically designed for vascular stents, are crucial for predicting its behavior under service conditions. Achieving homogeneous stresses in the hoop direction, essential for characterizing vascular stents, poses challenges in experimental testing based on standard specimens featuring a reduced cross section. This study utilizes an elasto-visco-plastic self-consistent polycrystal model(ΔEVPSC) with the predominant twinning reorientation(PTR) scheme as a numerical tool, offering an alternative to mechanical testing. For verification, various mechanical experiments, such as uniaxial tension, compression, notched-bar tension, three-point bending, and C-ring compression tests, were conducted. The resulting force vs. displacement curves and textures were then compared with those based on the ΔEVPSC model. The computational model's significance is highlighted by simulation results demonstrating that the differential hardening along with a weak strength differential effect observed in the Mg-10Gd sample is a result of the interplay between micromechanical deformation mechanisms and deformation-induced texture evolution. Furthermore, the study highlights that incorporating the axisymmetric texture from the as-received material incorporating the measured texture gradient significantly improves predictive accuracy on the strength in the hoop direction. Ultimately, the findings suggest that the ΔEVPSC model can effectively predict the mechanical behavior resulting from loading scenarios that are impossible to realize experimentally, emphasizing its valuable contribution as a digital twin.

关键词： Crystal plasticity Texture Finite element C-ring Three-point bending

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Atomistic simulation of tension deformation behavior in magnesium single crystal

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Acta Metallurgica Sinica(English Letters) 2010年第5期23卷 370-380页

作者： Yafang GUO Yuesheng WANG Honggang QI dirk steglich Institute of Engineering Mechanics Beijing Jiaotong University Beijing 100044 China GKSS Research Centre Institute of Materials Research Materials Mechanics D-21502 Geesthacht Germany Graduate Institute of Ferrous Technology Pohang University of Science and Technology Pohang Gyeongbuk 790-784 Korea

The deformation behavior in magnesium single crystal under c-axis tension is investigated in a temperature range between 250 K and 570 K by molecular dynamics simulations. At a low temperature, twinning and shear bands are found to be the main deformation mechanisms. In particular, the {102} tension twins with the reorientation angle of about 90 °are observed in the simulations. The mechanisms of {102} twinning are illustrated by the simulated motion of atoms. Moreover, grain nucleation and growth are found to be accompanied with the {102} twinning. At temperatures above 450 K, the twin frequency decreases with increasing temperature. The {102} extension twin almost disappears at the temperature of 570 K. The non-basal slip plays an important role on the tensile deformation in magnesium single crystal at high temperatures.

关键词： Atomistic simulations Magnesium Twinning c-axis tension

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Unloading behaviors of the rare-earth magnesium alloy ZE10 sheet

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Journal of Magnesium and Alloys 2021年第3期9卷 927-936页

作者： Weiqin Tang Jeong Yeon Lee Huamiao Wang dirk steglich Dayong Li Yinghong Peng Peidong Wu State Key Laboratory of Mechanical Systems and Vibration Shanghai Jiao Tong University800 Dongchuan RoadShanghai 200240PR China Department of Materials Science and Engineering Korea UniversitySeoul 02841Republic of Korea Institute of Materials Research Materials Mechanics/ACE-CentreHelmholtz-Zentrum GeesthachtMax-Planck-Str.121502 GeesthachtGermany Materials Genome Initiative Center Shanghai Jiao Tong University200240China Department of Mechanical Engineering McMaster UniversityHamiltonOntario L8S 4L7Canada

Due to their low symmetry in crystal structure,low elastic modulus(~45 GPa)and low yielding stress,magnesium(Mg)alloys exhibit strong inelastic behaviors during *** more and more Mg alloys are developed,their unloading behaviors were less investigated,especially for rare-earth(RE)Mg *** the current work,the unloading behaviors of the RE Mg alloy ZE10 sheet is carefully studied by both mechanical tests and crystal plasticity *** terms of the stress-strain curves,the inelastic strain,the chord modulus,and the active deformation mechanisms,the substantial anisotropy and the loading path dependency of the unloading behaviors of ZE10 sheets are *** inelastic strains are generally larger under compressive Loading-Un Loading(L-UL)than under tensile L-UL,along the transverse direction(TD)than along the rolling direction(RD)under tensile L-UL,and along RD than along TD under compressive *** basal slip,twinning and de-twinning are found to be responsible for the unloading behaviors of ZE10 sheets.

关键词： Inelasticity Magnesium alloy Rare-earth Crystal plasticity Twinning Detwinning

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MODELLING OF PLASTIC DEFORMATION IN POLYCRYSTALS-A CONCEPT FOR BRIDGING LENGTH SCALES

MODELLING OF PLASTIC DEFORMATION IN POLYCRYSTALS-A CONCEPT F...

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第五届国际材料与热加工物理模拟及数值模拟学术会议

作者： dirk steglich GKSS Research Centre Institute for Materials ResearchMaterials Mechanics D-21502 GeesthachtGermany

＜正＞Quantitative description of deformation in both, pure metals and technical alloys has been carried out in the past for different reasons: To identify the physical mechanisms of deformation and to provide reliabl...

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Multi-scale simulations of apatite-collagen composites： from molecules to materials

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Frontiers of Materials Science 2017年第1期11卷 1-12页

作者： dirk ZAHN Lehrstuhl for Theoretische Chemie/Computer Chemie Centrum Friedrich-Alexander Universitat Erlangen-Numberg Nagelsbachstraβe25 91052 Erlangen Germany

We review scale-bridging simulation studies for the exploration of atomic- to-meso scale processes that account for the unique structure and mechanic properties of apatite-protein composites. As the atomic structure and composition of such complex biocomposites only partially is known, the first part （i） of our modelling studies is dedicated to realistic crystal nucleation scenarios of inorganic-organic composites. Starting from the association of single ions, recent insights range from the mechanisms of motif formation, ripening reactions and the self-organization of nanocrystals, including their interplay with growth-controlling molecular moieties. On this basis, （ii） reliable building rules for unprejudiced scale-up models can be derived to model bulk materials. This is exemplified for （enamel-like） apatite-protein composites, encompassing up to 106 atom models to provide a realistic account of the 10 nm length scale, whilst model coarsening is used to reach pm length scales. On this basis, a series of deformation and fracture simulation studies were performed and helped to rationalize biocomposite hardness, plasticity, toughness, self-healing and fracture mechanisms. Complementing experimental work, these modelling studies provide particularly detailed insights into the relation of hierarchical composite structure and favorable mechanical properties.

关键词： biocomposites deformation fracture molecular simulation

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The role of phosphorus in the metabolism of arsenate by a freshwater green alga, Chlorella vulgaris

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Journal of Environmental Sciences 2016年第11期28卷 169-178页

作者： Josh Baker dirk Wallschlager Trent University Environmental and Life Sciences Graduate Program 1600 West Bank Dr Peterborough ON K9L 0G2 Canada School of the Environment Department of Chemistry and Water Quality Centre Trent University 1600 West Bank Dr Peterborough ONK9L 0G2 Canada

A freshwater microalga, Chlorella vulgaris, was grown in the presence of varying phosphate concentrations（〈 10–500 μg/L P） and environmentally realistic concentrations of arsenate（As（Ⅴ））（5–50 μg/L As）. Arsenic speciation in the culture medium and total cellular arsenic were measured using AEC-ICP-MS and ICP-DRC-MS, respectively, to determine arsenic biotransformation and uptake in the various phosphorus scenarios. At high phosphate concentration in the culture medium, 〉 100 μg/L P, the uptake and biotransformation of As（Ⅴ） was minimal and dimethylarsonate（DMAs（Ⅴ）） was the dominant metabolite excreted by C. vulgaris, albeit at relatively low concentrations. At common environmental P concentrations, 0–50 μg/L P, the uptake and biotransformation of As（Ⅴ） increased. At these higher As-uptake levels, arsenite（As（Ⅲ）） was the predominant metabolite excreted from the cell. The concentrations of As（Ⅲ） in these low P conditions were much higher than the concentrations of methylated arsenicals observed at the various P concentrations studied. The switchover threshold between the（small） methylation and（large） reduction of As（Ⅴ） occurred around a cellular As concentration of 1 fg/cell. The observed nearly quantitative conversion of As（Ⅴ） to As（Ⅲ） under low phosphate conditions indicates the importance of As（Ⅴ） bio-reduction at common freshwater P concentrations. These findings on the influence of phosphorus on arsenic uptake, accumulation and excretion are discussed in relation to previously published research. The impact that the two scenarios of As（Ⅴ） metabolism, As（Ⅲ） excretion at high As（Ⅴ）-uptake and methylarsenical excretion at low As（Ⅴ）-uptake, have on freshwater arsenic speciation is discussed.

关键词： Arsenic Speciation Phosphorus Freshwater algae Toxicity Biotransformation

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Structural pavement assessment in Germany

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Frontiers of Structural and Civil Engineering 2018年第2期12卷 183-191页

作者： Lutz PINKOFSKY dirk JANSEN Bundesanstalt fur Straflenwesen (Federal Highway Research Institute) BASt Bruederstrasse 53 51427 Bergisch Gladbach Germany

The aging structure as well as the considerable increase of heavy-traffic load on Germany＇s motorways and trunk roads encourages the use of innovative, sound and reliable methods for the structural assessment on network level as well as on project level. Essential elements for this are data, which allow a reliable assessment. For a holistic approach to structural pavement assessment performance orientated measurements will be necessary. In combination with functional parameters as well as write-down models, strategically motivated decision making processes will be useful combined with technically motivated decision processes. For the application at the network level, the available methods for performance orientated measurements are still challenging, as they are based either on testing drill-cores or on non- traffic speed methods. In recent years significant innovation steps have been made to bring traffic speed bearing capacity measurements and methods for evaluating pavement structures on the road. The paper summarizes the actual assessment procedures in Germany as well as the ongoing work on the development and implementation of new methods and techniques.

关键词： pavement assessment Germany structure system

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Numerical modelling of a turbulent bluff-body flow with Reynolds stress turbulent models

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Progress in Natural Science:Materials International 2005年第5期15卷 458-462页

作者： dirk ROEKAERTS CJ2628 Delft Delft University of Technology Department of Applied Physics The Netherlands

Numerical modelling of a turbulent bluff-body flow has been performed using differential Reynolds stress models (DRSMs). To clarify the applicability of the existing DRSMs in this complex flow, several typical DRSMs, including LRR-IP model, JM model, SSG model, as well as a modified LRR-IP model, have been validated and evaluated. The performance difference between various DRSMs is quite significant. Most of the above mentioned DRSMs cannot provide overall satisfactory predictions for this challenging test case. Motivated by the deficiency of the existing approaches, a new modification of LRR-IP model has been proposed. A very significant improvement of the prediction of flow field is obtained.

关键词： bluff-body flow differential Reynolds stress models turbulent model.

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Phosphorus release from vivianite and hydroxyapatite by organic and inorganic compounds

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Pedosphere 2020年第2期30卷 190-200页

作者： Stella GYPSER dirk FREESE Brandenburg University of Technology Cottbus-Senftenberg Faculty of EnvironmentProcess EngineeringBiotechnology and ChemistryDepartment of Soil Protection and RecultivationKonrad-Wachsmann-Allee 6Cottbus 03046Germany

Based on recent mining rates and the exhaustion of global phosphorus(P)reserves,there is a need to mobilize P already stored in soils,and its recovery from secondary resources such as Ca-and Fe-phosphates is *** Ca-phosphate hydroxyapatite forms a good fertilizer source,while vivianite is formed in waterlogged soils and *** sludge treatment,the formation of vivianite has been identified,being mainly ***-term P release from both hydroxyapatite and vivianite was studied using different inorganic(CaCl2 and CaSO4)and organic(citric and humic acid)reagents during batch *** CaCl2 and CaSO4 represent the soil solution,while citric and humic acids as organic constituents affect P availability in the rhizosphere and during the process of ***,the flow-through reactor(FTR)technique with an infinite sink was used to study the long-term P release *** cumulative P release was higher by organic acids than by inorganic *** cumulative P release rates were higher in the FTR with CaCl2 as compared to the batch *** infinite sink application caused a continuously high concentration gradient between the solid and liquid phases,leading to higher desorption rates as compared to the batch *** predominant amount of the total P released over time was available for a short *** inorganic anion exchange occurred at easily available binding sites,organic acids affected the more heavily available binding sites,which could be embedded within the mineral *** results showed that organic compounds,especially citric acid,play a superior role as compared to the inorganic constituents of the soil solution during the recovery of already stored P from the tertiary phosphates vivianite and hydroxyapatite.

关键词： anion exchange batch technique citric acid flow-through reactor humic acid ligand exchange phosphate phosphorus recovery

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Utilization of fly ash from coal-fired power plants in China

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2008年第5期9卷 681-687页

作者： Eva SELIC Jan-dirk HERBELL Waste Management Engineering Department of Mechanical Engineering University of Duisburg-Essen Duisburg 47057 Germany

The rapidly increasing demand for energy in China leads to the construction of new power plants all over the country. Coal, as the main fuel resource of those power plants, results in increasing problems with the disposal of solid residues from combustion and off gas cleaning. This investigation describes chances for the utilization of fly ash from coal-fired power plants in China. After briefly comparing the situation in China and Germany, the status of aluminum recycling from fly ash and the ad- vantages for using fly ash in concrete products are introduced. Chemical and physical analyses of Chinese fly ash samples, e.g., X-ray diffraction (XRD), ICP (Inductive Coupled Plasma) and particle size analysis, water requirement, etc. are presented. Rea- sonable amounts of aluminum were detected in the samples under investigation, but for recovery only sophisticated procedures are available up to now. Therefore, simpler techniques are suggested for the first steps in the utilization of Chinese fly ash.

关键词： Fly ash utilization Aluminum recycling Concrete Chemical and physical analyses

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