Article
Mechanics
Djeumen Ethel, Gergely Molnar, Nicolas Tardif, Michel Coret, Jean Desquines, Tatiana Taurines, Marie-Christine Baietto
Summary: The phase-field method is an efficient tool for modeling fracture and phase transformation. This study combines fracture phase-field approach with phase-field approach for diffusive phase transformation to describe crack propagation in non-static heterogeneous materials. The effects of viscoplasticity and diffusive phase transformation on fracture behavior are demonstrated using benchmark examples, including critical loading, energy density, and crack topology. The mitigation of pre-existing defects by viscoplastic activity at the crack tip is shown, as well as the intermediate fracture response introduced by viscoplastic activity in a heterogeneous case.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2022)
Article
Materials Science, Multidisciplinary
Shun Guo, Wang Ding, Minkyung Kwak, Guanglei Liu, Haixia Liu, Xiaonong Cheng, Yang Zhao, Xinqing Zhao
Summary: A novel multiphase Zr-30Ti-7Nb-4Sn alloy consisting of beta, alpha' and alpha '' phases was designed and fabricated to investigate the mechanical mechanisms responsible for the deformation behavior in multiphase Zr-based alloys involving two different martensites. The results reveal that extensive beta ->alpha '' stress-induced martensitic (SIM) transformation and the reorientation of pre-existing alpha '' martensitic variants occur during loading. Incomplete reverse alpha ''->beta SIM transformation takes place during unloading, leading to residual macroscopic strain in the specimen.
MATERIALS TODAY ADVANCES
(2022)
Review
Materials Science, Multidisciplinary
Khushubo Tiwari, M. Manolata Devi, Krishanu Biswas, Kamanio Chattopadhyay
Summary: This review focuses on the phase transformation behavior of alloy nanoparticles, including free and embedded nanoparticles, as well as the effects of size, shape, and chemical order on phase transformation and alloying. It compares different conditions of nanoparticles and discusses unresolved issues and future research directions.
PROGRESS IN MATERIALS SCIENCE
(2021)
Article
Multidisciplinary Sciences
Krishna Shrinivas, Michael P. Brenner
Summary: This study utilizes random-matrix theory and statistical physics to describe the emergent phase behavior of fluid mixtures with many molecular species. Through numerical simulation and stability analyses, it is found that these mixtures exhibit staged phaseseparation kinetics and have multiple coexisting phases at steady state with distinct compositions. The model framework provided in this study can help understand the dynamical and steady-state phase behavior of liquid-like mixtures with many interacting constituents.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Physical
Yulia Yu Emurlaeva, Ivan Ivanov, Daria Lazurenko, Tatiana S. Ogneva, Pengwan Chen, Qiang Zhou, Anatoly A. Bataev, Alexey A. Ruktuev, Shigeru Tanaka, Ivan A. Bataev
Summary: Metal-intermetallic laminated composites have gained attention in the scientific community due to their strong crystallographic texture and ability to form various superstructures. The study reveals that the intermetallic layer in Ti-Al based MIL composite consists of two modifications of titanium trialuminide, with the volume fraction of the Ti8Al24 modification increasing towards the Ti interface. The formation of two types of fiber texture in the titanium trialuminide layer is attributed to differences in the migration properties of Ti and Al atoms.
Article
Metallurgy & Metallurgical Engineering
Li Sai, Yang Zenan, Zhang Chi, Yang Zhigang
Summary: In the study of pearlite-austenite transformation, the investigation of diffusional paths and their effects on the transformation process is important. This research focused on the diffusional paths in Fe-0.6%C-2%Mn alloy at 720 and 740 degrees C and found that the interface diffusional path is dominant for Mn diffusion. The results also showed different partitioning modes of Mn distribution in austenite at different temperatures.
ACTA METALLURGICA SINICA
(2023)
Article
Mechanics
Zhangrong Qin, Jianfei Zhu, Wenbo Chen, Chengsheng Li, Binghai Wen
Summary: In this paper, an effective pseudo-potential lattice Boltzmann model is developed to achieve thermodynamic consistency, extremely large density ratio, and adjustable surface tension. By decoupling the mesh space from the momentum space and using a high-precision explicit finite difference method, the accuracy and stability of the simulation are improved.
Article
Thermodynamics
Ali Tarokh, Connor Bliss, Arman Hemmati
Summary: The study focuses on improving the heat transfer performance of a two-phase closed thermosyphon by changing the geometry of the pipe body. A vortex generator positioned in the adiabatic section and condenser section has the most significant impact on average wall temperature distribution and overall thermal resistance, reducing thermal resistance by 3.5% and 3.3% respectively. This reduction is attributed to a higher velocity of the liquid-vapour mixture flow in these regions, indicating enhanced thermal boundary layer mixing.
APPLIED THERMAL ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Nathan Fernandes Ignacio, Maisa Silva Fernandes, Diego Magalhaes Baia, Ana Gabriela Conceicao dos Santos, Felipe da Silva Siqueira, Weslley Luiz da Silva Assis, Paulo Rangel Rios
Summary: This study investigates cluster nucleation and growth reactions using numerical simulations, finding that slower phase transformation reactions result in fewer clusters per unit volume; the computational model validates the accuracy of the Villa & Rios analytical model, demonstrating its suitability for clustering nucleation.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Physics, Fluids & Plasmas
Shengyuan Zhang, Jun Tang, Huiying Wu
Summary: This paper proposes a lattice Boltzmann model based on the phase-field method for simulating large density ratio two-phase flows. The model avoids the calculation issues in previous models and has been validated through a series of benchmark tests.
Article
Multidisciplinary Sciences
Sandra M. Ritchie, Sasa Kovacevic, Prithviraj Deshmukh, Alexander D. Christodoulides, Jonathan A. Malen, Sinisa Dj. Mesarovic, Rahul P. Panat
Summary: This paper investigates the causes and mechanisms of distortion during sintering and develops a continuum model to describe and control this phenomenon.
NATURE COMMUNICATIONS
(2023)
Article
Green & Sustainable Science & Technology
L. Deconinck, T. Depover, K. Verbeken
Summary: The present study experimentally investigates the uptake of hydrogen and the formation of hydrides in duplex Ti-6Al-4V. Hydrogen is introduced through electrochemical charging at room temperature. The effects of charging duration and current density are evaluated, revealing lattice strains and the formation of titanium hydrides under severe charging conditions. The charging conditions significantly influence the hydrogen distribution and hydride formation in the material. Controlling the electrochemical hydrogen charging conditions provides a better understanding of hydrogen-induced failure mechanisms and offers opportunities for sustainable thermohydrogen processing of titanium.
MATERIALS TODAY SUSTAINABILITY
(2023)
Article
Crystallography
Chenchong Wang, Jiahua Yuan, Minghao Huang
Summary: The effect of external fields on martensite transformation behavior was studied using computational simulation. The results showed that tension and compression greatly promoted martensite formation and caused variant selection, while shearing conditions led to relatively balanced forms of different variants. Additionally, magnetic fields provided a gentler method for achieving a state with balanced variants.
Article
Chemistry, Physical
R. R. Xu, M. Q. Li
Summary: This study investigates the phase transformation in a β-TiAl alloy using SEM and TEM, finding that the process is diffusion-controlled, with flat interfaces and stacking faults pairs playing a role in some cases.
Article
Materials Science, Multidisciplinary
Bowen Xu, Ruidong Fu, Yijun Li, Jianyu Ma, Bin Yan
Summary: This study investigated the counterintuitive strain-induced alpha -> beta dynamic transformation of commercial pure titanium deformed at a temperature below the beta-transus. It was found that the serrated-shaped beta phase first formed at grain boundaries and then grew into grains, eventually transforming the initial equiaxed alpha grain into a (alpha + beta) lamellar structure. The development of beta phase laths was controlled by moving dislocations in the alpha phase, and both were influenced by the diffusion of beta-stabilizing elements. Moreover, the redistribution of Fe in CP-Ti resulted in a special reversal transformation of beta -> alpha during the isothermal holding period after deformation.
Article
Thermodynamics
A. Forslund, H. Larsson
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2019)
Article
Thermodynamics
Wei Wang, Hai-Lin Chen, Henrik Larsson, Huahai Mao
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2019)
Article
Materials Science, Coatings & Films
Katalin Boor, Ren Qiu, Axel Forslund, Olof Backe, Henrik Larsson, Erik Lindahl, Mats Halvarsson, Mats Boman, Linus von Fieandt
SURFACE & COATINGS TECHNOLOGY
(2020)
Article
Engineering, Mechanical
Mike Olsson, Filip Lenrick, Rachid M'Saoubi, Henrik Larsson, Andreas Markstrom, Igor Petrusha, Jan-Eric Stahl, Volodymyr Bushlya
Article
Engineering, Mechanical
Axel Bjerke, Andrii Hrechuk, Filip Lenrick, Rachid M'Saoubi, Henrik Larsson, Andreas Markstrom, Thomas Bjork, Susanne Norgren, Jan-Eric Stahl, Volodymyr Bushlya
Summary: The ability to control the shape, distribution, and composition of non-metallic inclusions plays a critical role in steel making, particularly in enhancing machinability. This study focuses on the anomalous wear of Al2O3 coatings when turning soft Ca-treated steels, and identifies chemical interactions between the alumina coating and non-metallic inclusions such as calcium aluminates and alumina-magnesia spinel. High cutting temperatures and the presence of oxygen affect the reaction between CaO, MgO, and Al2O3. The study suggests potential improvements in machinability by controlling the chemical interaction between Ca and Mg based inclusions and alumina coatings.
Article
Thermodynamics
Henrik Larsson
Summary: The use of Boltzmann's transformation to numerically solve diffusion problems using CALPHAD databases is demonstrated, with a focus on multicomponent, multiphase systems and composition dependent molar volumes. The formation of Kirkendall porosity is also discussed as an application of this method.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Thermodynamics
Armin Salmasi, Simon J. Graham, Iain Galbraith, Alexander D. Graves, Martin Jackson, Susanne Norgren, Dikai Guan, Henrik Larsson, Lars Hoglund
Summary: The study focuses on optimizing the interaction mobility parameters of Ti and Fe in the BCC phase to address segregation issues caused by the addition of Fe to Ti. High-resolution Fe concentration profiles are obtained from Ti-Fe diffusion couples held at different temperatures, and ternary mobility interaction parameters are assessed and compared to previous evaluations.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Erik Fransson, Martin Gren, Henrik Larsson, Goran Wahnstrom
Summary: WC-Co cemented carbides exhibit a unique combination of high hardness and good toughness, making them ideal for tool materials in metal machining or rock drilling. Doping with elements such as Ti, V, or Cr can lead to the formation of thin cubic films at phase boundaries between hexagonal WC and fcc Co-rich binder, which are crucial for inhibiting grain growth. Ab initio calculations and modeling were used to construct an interfacial phase diagram for thin cubic films in Ti-doped WC-Co, predicting the segregation of Ti to WC/Co phase boundaries and stability of thin films even at low doping concentrations.
PHYSICAL REVIEW MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Wei Wang, Yong Wang, Wangzhong Mu, Joo Hyun Park, Hui Kong, Sohei Sukenaga, Hiroyuki Shibata, Henrik Larsson, Huahai Mao
Summary: The study reveals that Co-based alloys with different Cr contents exhibit varying liquidus and solidus temperatures, as well as undercooling during solidification. The stable oxide inclusions in different alloys differ in type and particle size, with theoretical calculations showing the influence of thermo-physical parameters on their coagulation coefficient. The theoretical calculations are in good agreement with experimental findings.
MATERIALS & DESIGN
(2021)
Article
Materials Science, Multidisciplinary
Wei Wang, Wangzhong Mu, Dawei Wei, Hongliu Wu, Libo Yu, Torbjoern Jonsson, Henrik Larsson, Huahai Mao
Summary: A series of duplex fcc + hcp Co-based entropic alloys with outstanding mechanical properties have been discovered. CALPHAD-based thermo-dynamic calculations and electrochemical tests were conducted to understand the alloy design and corrosion behaviors. High corrosion resistance materials with high strength and ductility were found, and various spinel compounds and oxides were observed in the passive films. The breakdown of passive films due to corrosive anion Cl- could lead to pitting corrosion. The microstructure of the alloys played a crucial role in localized anodic dissolution. The theoretical calculations were consistent with experimental observations. This study paves the way for future development of high-performance Co-based entropic alloys in harsh environments.
MATERIALS & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
Deepjyoti Mukherjee, Henrik Larsson, Joakim Odqvist
Summary: A phase-field model is used to simulate diffusion-induced grain boundary migration in binary Fe-Zn, and the simulation results are compared to experimental observations.
Article
Crystallography
Louise Rosenblad, Hjalmar Staf, Henrik Larsson, Per-Lennart Larsson
Summary: The densification of cemented carbides during sintering was studied using a constitutive model based on powder particle size and material composition. The study evaluated the model's ability to predict experimental results from a dilatometer test. Three experiments were conducted, with the only difference being the transition between the debinding and sintering process. It was found that changes to the experimental setup affected the carbon level in the specimens, and the constitutive model was limited to specific experimental setups and carbon levels. Further constitutive modelling relevant to the carbon level is recommended to capture mechanical behavior under different experimental conditions.
Article
Materials Science, Multidisciplinary
Wei Wang, Hongliu Wu, Wangzhong Mu, Wenda Zhang, Zhou Li, Huahai Mao, Peikang Bai, Henrik Larsson
Summary: A new category of Al-doped cobalt-based dual phase entropic alloys with high corrosion resistance properties was designed in this study. Computational thermodynamics aided prediction and various techniques were employed to investigate the alloys. The results showed that the designed alloys exhibited acceptable corrosion resistance and the addition of Al had a minor influence on their corrosion properties. This study sheds light on the correlation between computational thermodynamics and corrosion behaviors in cobalt-based dual-phase entropic alloys, and demonstrates the feasibility of using CALPHAD method for rapid development of high-performance alloys.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Wei Wang, Wangzhong Mu, Ziyong Hou, Sohei Sukenaga, Hiroyuki Shibata, Henrik Larsson, Huahai Mao
Article
Materials Science, Multidisciplinary
Deepjyoti Mukherjee, Henrik Larsson, Joakim Odqvist
COMPUTATIONAL MATERIALS SCIENCE
(2020)
