4.7 Article

Anisotropic stress-strain response and microstructure evolution of textured α-uranium

Journal

ACTA MATERIALIA
Volume 60, Issue 2, Pages 702-715

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2011.10.041

Keywords

Uranium; Constitutive modeling; Texture; Twinning; EBSD

Funding

  1. US Department of Energy [DE-AC52-06NA25396]

Ask authors/readers for more resources

The deformation behavior of wrought alpha-uranium is studied using electron backscattered diffraction and crystal plasticity modeling. We report stress-strain response and texture evolution for 12 different cases corresponding to tension and compression tests performed on three different initial textures: straight-rolled, clock-rolled and swaged alpha-uranium. It is seen that the response of alpha-uranium is highly anisotropic owing to its low-symmetry orthorhombic crystal structure and limited number of slip/twin systems. For modeling this complex system, we adapt a multiscale dislocation-based hardening law developed earlier for hexagonal metals and implement it within a viscoplastic self-consistent homogenization scheme. This hardening law performs well in capturing the anisotropic strain hardening and the texture evolution in all studied samples. Comparisons of simulations and experiments allow us to infer basic information concerning the various slip and twin mechanisms, their interactions, and their role on strain hardening and texture evolution in alpha-uranium. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Materials Science, Multidisciplinary

Crystal mechanics-based thermo-elastic constitutive modeling of orthorhombic uranium using generalized spherical harmonics and first-order bounding theories

Russell E. Marki, Kyle A. Brindley, Rodney J. McCabe, Marko Knezevic

Summary: This paper presents a mathematical procedure for invertible microstructure-property linkages for orthorhombic polycrystalline metals using the generalized spherical harmonics (GSH) spectral basis. The procedure allows for the computation of property closures and enables the simulation of microstructurally heterogeneous components under thermo-mechanical loadings in a computationally efficient manner. The developed framework has been demonstrated using alpha-uranium as a case study.

JOURNAL OF NUCLEAR MATERIALS (2022)

Article Materials Science, Multidisciplinary

Tensile and failure behaviors of Cu/Nb nanolaminates: the effects of loading direction, layer thickness, and annealing

Yifan Zhang, Jonathan G. Gigax, Thomas J. Nizolek, John S. Carpenter, Matthew M. Schneider, Nan Li, Laurent Capolungo, Rodney J. McCabe

Summary: Nano metallic laminates (NMLs) show exceptional strengths, but limited ductility under tension. By conducting mesoscale tension tests, it is found that annealing at 800 degrees C significantly enhances the ductility and work hardenability of NMLs.

ACTA MATERIALIA (2022)

Article Materials Science, Multidisciplinary

Integrated multi-scale modeling of variant selection during stress-induced martensite formation in metastable β Ti-alloys

Frank Niessen, Abhishek Bhattacharyya, Azdiar A. Gazder, Elena V. Pereloma, Ricardo A. Lebensohn

Summary: In this study, an integrated micromechanical modeling approach was presented to predict the available work from stress-induced martensite formation in Ti alloys. It was found that the tips of lamellar alpha were preferred nucleation sites for martensite formation, and the model could confidently predict the first variants forming at low levels of deformation.

ACTA MATERIALIA (2022)

Article Materials Science, Multidisciplinary

Kink mechanism in Cu/Nb nanolaminates explored by in situ pillar compression

Yifan Zhang, Nan Li, Matthew M. Schneider, Thomas J. Nizolek, Laurent Capolungo, Rodney J. McCabe

Summary: This study investigates the formation process and mechanism of kink band (KB) in Cu/Nb nano metallic laminates (NMLs). It is found that the inhomogeneous microstructure plays a key role in the formation of KB, leading to the accumulation of geometrically necessary dislocations (GNDs) and the formation of tilt geometrically necessary boundaries (GNBs) near KB boundaries (KBBs). Furthermore, once the layer-parallel slip systems are activated, preexisting lattice dislocations and dislocations nucleating from interfaces will accumulate as GNDs near KBBs, promoting the evolution of KB.

ACTA MATERIALIA (2022)

Article Engineering, Mechanical

Crystal plasticity modeling of strain-induced martensitic transformations to predict strain rate and temperature sensitive behavior of 304 L steels: Applications to tension, compression, torsion, and impact

Zhangxi Feng, Reeju Pokharel, Sven C. Vogel, Ricardo A. Lebensohn, Darren Pagan, Eloisa Zepeda-Alarcon, Bjorn Clausen, Ramon Martinez, George T. Gray, Marko Knezevic

Summary: This paper presents crystallographically-based phase transformation models and deformation mechanism models for predicting strain-induced austenite to martensite transformation. The models can predict the strain-path sensitive, strain-rate and temperature sensitive deformation of stainless steels. The deformation of constituent grains is modeled as a combination of anisotropic elasticity, crystallographic slip, and phase transformation, while the hardening is based on the evolution of dislocation density and phase fractions. The models are calibrated and validated using experimental data and are used to simulate the deformation processes of stainless steel materials. The simulation results are compared and analyzed with experimental results in terms of geometry, mechanical response, phase fractions, and texture evolution.

INTERNATIONAL JOURNAL OF PLASTICITY (2022)

Article Materials Science, Multidisciplinary

Density functional theory-informed dislocation density hardening within crystal plasticity: Application to modeling deformation of Ni polycrystals

Adnan Eghtesad, John D. Shimanek, Shun -Li Shang, Ricardo Lebensohn, Marko Knezevic, Zi-Kui Liu, Allison M. Beese

Summary: This study successfully integrates first-principles calculations based on density functional theory (DFT) into the dislocation density hardening law of the crystal plasticity fast Fourier transform (CPFFT) model, improving the robustness of the model and reducing the uncertainties in calibrating the macroscopic flow response.

COMPUTATIONAL MATERIALS SCIENCE (2022)

Article Engineering, Multidisciplinary

An implicit FFT-based method for wave propagation in elastic heterogeneous media

R. Sancho, V. Rey-de-Pedraza, P. Lafourcade, R. A. Lebensohn, J. Segurado

Summary: An FFT-based algorithm is proposed to simulate the propagation of elastic waves in heterogeneous domains. The method incorporates the application of Dirichlet boundary conditions and uses a stable beta-Newmark approach for time discretization. By solving the equilibrium equations in Fourier space and employing a preconditioned Krylov solver, the method achieves high accuracy and computational efficiency. Numerical examples demonstrate its effectiveness in simulating wave propagation in different mediums.

COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING (2023)

Article Materials Science, Multidisciplinary

Non-local large-strain FFT-based formulation and its application to interface-dominated plasticity of nano-metallic laminates

Miroslav Zecevic, Ricardo A. Lebensohn, Laurent Capolungo

Summary: This paper presents a new formulation and numerical implementation of a strain-gradient crystal plasticity model within a large-strain elasto-viscoplastic fast Fourier transform-based micromechanical model. The model is used to study the formation of kink bands during layer-parallel compression of nano-metallic laminates. The interaction between dislocations and interfaces is considered in the model to accurately simulate the behavior of the layered composites.

JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS (2023)

Article Engineering, Mechanical

Implementation and experimental validation of nonlocal damage in a large-strain elasto-viscoplastic FFT-based framework for predicting ductile fracture in 3D polycrystalline materials

C. K. Cocke, H. Mirmohammad, M. Zecevic, B. R. Phung, R. A. Lebensohn, O. T. Kingstedt, A. D. Spear

Summary: This study extends a large-strain FFT-based crystal plasticity model to simulate ductile fracture of polycrystalline materials. By incorporating a triaxiality-based continuum damage mechanics (CDM) formulation into a large-strain elasto-viscoplastic FFT (LS-EVPFFT) framework and using an integral-based nonlocal regularization approach, the model is able to accurately predict the macroscopic stress-strain response and necking behavior of ductile polycrystals.

INTERNATIONAL JOURNAL OF PLASTICITY (2023)

Article Engineering, Multidisciplinary

The Elastic Properties of Dilute Solid Suspensions with Imperfect Interfacial Bonding: Variational Approximations Versus Full-Field Simulations

Valentin Gallican, Miroslav Zecevic, Ricardo A. Lebensohn, Martin I. Idiart

Summary: Approximations for the elastic properties of dilute solid suspensions with imperfect interfacial bonding are derived and assessed. Two approximations are generated using a variational procedure, with one dependent on an arithmetic mean and the other dependent on a harmonic mean for averaging the interfacial compliance. The harmonic approximation is found to be more accurate than the arithmetic approximation, which has practical relevance given the widespread use of the latter in existing descriptions.

JOURNAL OF ELASTICITY (2023)

Article Materials Science, Multidisciplinary

Coupled chemo-mechanical modeling of point-defect diffusion in a crystal plasticity fast Fourier transform framework

Aritra Chakraborty, Ricardo A. Lebensohn, Laurent Capolungo

Summary: At moderate-to-high temperatures and below the yield strength, the inelastic deformation of metals is mainly controlled by vacancy diffusion-mediated processes. Vacancies (or atoms) can diffuse preferentially along grain boundaries or along dislocations, resulting in climb and self-climb. The proposed thermodynamically-consistent model considers the coupling between grain boundary and grain bulk diffusion-mediated plasticity mechanisms and predicts the strain rate dependencies and steady-state creep rate scaling with respect to grain size, temperature, and stress.

JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS (2023)

Article Materials Science, Multidisciplinary

Unraveling kinking: A plasticity enhancing failure mode in high strength nano metallic laminates

Yifan Zhang, Miroslav Zecevic, Aritra Chakraborty, Rodney J. McCabe, Thomas J. Nizolek, Ricardo A. Lebensohn, John S. Carpenter, Nan Li, Laurent Capolungo

Summary: This study investigates the dependence of kinking on microstructural attributes in NMLs through in situ micropillar compression, microstructure characterization, simulations, and modeling. The development of internal stresses during loading activates local layer-parallel glide triggering kinking in NMLs. The effect of key microstructural features on kink band formation in NMLs is also revealed.

ACTA MATERIALIA (2023)

Article Engineering, Mechanical

Machine learning-enabled identification of micromechanical stress and strain hotspots predicted via dislocation density-based crystal plasticity simulations

Adnan Eghtesad, Qixiang Luo, Shun -Li Shang, Ricardo A. Lebensohn, Marko Knezevic, Zi-Kui Liu, Allison M. Beese

Summary: This study combines a full-field crystal plasticity model with a first principles-informed dislocation density hardening law and a machine learning approach to investigate the microstructural features correlated with micromechanical field localization in polycrystalline Ni. The results show that regions near grain boundaries, higher Schmid factors, low slip transmissions, and high intergranular misorientations are more prone to being micromechanical hotspots. The integration of physics-based crystal plasticity with machine learning provides insights into the initiation zones of micromechanical damage in polycrystalline metals.

INTERNATIONAL JOURNAL OF PLASTICITY (2023)

Article Chemistry, Physical

Deep material network via a quilting strategy: visualization for explainability and recursive training for improved accuracy

Dongil Shin, Ryan Alberdi, Ricardo A. Lebensohn, Remi Dingreville

Summary: Recent developments in micromechanics and neural networks have provided promising paths for accurately predicting the response of heterogeneous materials. The deep material network, with its multi-layer design and trained micromechanics building blocks, offers the ability to extrapolate material behavior to different constitutive laws without retraining. However, the random initialization of network parameters in current training methods leads to unavoidable errors. In this study, we propose a visualization technique using an analogous unit cell to initialize deeper networks and improve the accuracy and calibration performance, while also providing a more intuitive representation of the network for explainability.

NPJ COMPUTATIONAL MATERIALS (2023)

Article Geography, Physical

Can changes in deformation regimes be inferred from crystallographic preferred orientations in polar ice?

Maria-Gema Llorens, Albert Griera, Paul D. Bons, Ilka Weikusat, David J. Prior, Enrique Gomez-Rivas, Tamara de Riese, Ivone Jimenez-Munt, Daniel Garcia-Castellanos, Ricardo A. Lebensohn

Summary: This study investigates the influence of ice deformation history on the development of crystallographic preferred orientations (CPOs) using full-field numerical simulations. The results show that the second deformation event tends to destroy the first inherited fabric, but the transition is slow when crystallographic axes are critically oriented with respect to the second imposed regime. Therefore, caution must be exercised when interpreting observed CPOs in areas with complex deformation histories.

CRYOSPHERE (2022)

Article Materials Science, Multidisciplinary

Transmission electron microscopy of the rapid solidification microstructure evolution and solidification interface velocity determination in hypereutectic Al-20at.%Cu after laser melting

Y. Liu, K. Zweiacker, C. Liu, J. T. McKeown, J. M. K. Wiezorek

Summary: The evolution of rapid solidification microstructure and solidification interface velocity of hypereutectic Al-20at.%Cu alloy after laser melting has been studied experimentally. It was found that the formation of microstructure was dominated by eutectic, alpha-cell, and banded morphology grains, and the growth modes changed with increasing interface velocity.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Mechanisms for high creep resistance in alumina forming austenitic (AFA) alloys

Bharat Gwalani, Julian Escobar, Miao Song, Jonova Thomas, Joshua Silverstein, Andrew Chihpin Chuang, Dileep Singh, Michael P. Brady, Yukinori Yamamoto, Thomas R. Watkins, Arun Devaraj

Summary: Castable alumina forming austenitic alloys exhibit superior creep life and oxidation resistance at high temperatures. This study reveals the mechanism behind the enhanced creep performance of these alloys by suppressing primary carbide formation and offers a promising alloy design strategy for high-temperature applications.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Achieving atomically flat copper surface: Formation of mono-atomic steps and associated strain energy mechanisms

Jian Song, Qi Zhang, Songsong Yao, Kunming Yang, Houyu Ma, Jiamiao Ni, Boan Zhong, Yue Liu, Jian Wang, Tongxiang Fan

Summary: Recent studies have shown that achieving an atomically flat surface for metals can greatly improve their oxidation resistance and enhance their electronic-optical applications. Researchers have explored the use of graphene as a covering layer to achieve atomically flat surfaces. They found that high-temperature deposited graphene on copper surfaces formed mono-atomic steps, while annealed copper and transferred graphene on copper interfaces formed multi-atomic steps.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Modeling and measurements of creep deformation in laser-melted Al-Ti-Zr alloys with bimodal grain size

Jennifer A. Glerum, Jon-Erik Mogonye, David C. Dunand

Summary: Elemental powders of Al, Ti, Sc, and Zr are blended and processed via laser powder-bed fusion to create binary and ternary alloys. The microstructural analysis and mechanical testing show that the addition of Ti results in the formation of primary precipitates, while the addition of Sc and Zr leads to the formation of fine grain bands. The Al-0.25Ti-0.25Zr alloy exhibits comparable strain rates to Al-0.5Zr at low stresses, but significantly higher strain rates at higher stresses during compressive creep testing. Finite element modeling suggests that the connectivity of coarse and fine grain regions is a critical factor affecting the creep resistance of the alloys.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Characterizing stable nanocrystalline Cu-Ta behavior and failure dynamics under extremes of strain rate, strain, temperature and pressure by modified dynamic tensile extrusion

P. Jannotti, B. C. Hornbuckle, J. T. Lloyd, N. Lorenzo, M. Aniska, T. L. Luckenbaugh, A. J. Roberts, A. Giri, K. A. Darling

Summary: This work characterizes the thermo-mechanical behavior of bulk nanocrystalline Cu-Ta alloys under extreme conditions. The experiments reveal that the alloys exhibit unique mechanical properties, behaving differently from conventional nanocrystalline Cu. They do not undergo grain coarsening during extrusion and exhibit behavior similar to coarse-grained Cu.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Phase-dependent microstructure modification leads to high thermoelectric performance in n-type layered SnSe2

Yiqing Wei, Jingwei Li, Daliang Zhang, Bin Zhang, Zizhen Zhou, Guang Han, Guoyu Wang, Carmelo Prestipino, Pierric Lemoine, Emmanuel Guilmeau, Xu Lu, Xiaoyuan Zhou

Summary: This study proposes a new strategy to modify microstructure by phase regulation, which can simultaneously enhance carrier mobility and reduce lattice thermal conductivity. The addition of Cu in layered SnSe2 induces a phase transition that leads to increased grain size and reduced stacking fault density, resulting in improved carrier mobility and lower lattice thermal conductivity.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Selective oxidation and nickel enrichment hinders the repassivation kinetics of multi-principal element alloy surfaces

Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai

Summary: In this study, the structural origin of the pH-dependent repassivation mechanisms in multi-principal element alloys (MPEA) was investigated using surface characterization and computational simulations. It was found that selective oxidation in acidic to neutral solutions leads to enhanced nickel enrichment on the surface, resulting in reduced repassivation capability and corrosion resistance.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Rate-dependent transition of dislocation mechanisms in a magnesium alloy

X. Y. Xu, C. P. Huang, H. Y. Wang, Y. Z. Li, M. X. Huang

Summary: The limited slip systems of magnesium (Mg) and its alloys hinder their wide applications. By conducting tensile straining experiments, researchers discovered a rate-dependent transition in the dislocation mechanisms of Mg alloys. At high strain rates, glissile dislocations dominate, while easy-glide dislocations dominate at low strain rates. Abundant glissile dislocations do not necessarily improve ductility.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

The effect of temperature on detwinning and mechanical properties of face-centered cubic deformation twins

M. S. Szczerba, M. J. Szczerba

Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Nature of the electric double layer to modulate the electrochemical behaviors of Fe2O3 electrode

Taowen Dong, Tingting Qin, Wei Zhang, Yaowen Zhang, Zhuoran Feng, Yuxiang Gao, Zhongyu Pan, Zixiang Xia, Yan Wang, Chunming Yang, Peng Wang, Weitao Zheng

Summary: The interaction between the electrode and the electric double layer (EDL) significantly influences the energy storage mechanism. By studying the popular alpha-Fe2O3 electrode and the EDL interaction, we find that the energy storage mechanism of the electrode can be controlled by modulating the EDL.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Grain scale bursts of plasticity in Mg-4Zn via high energy X-rays: Towards twin observation in real-time

Matthew R. Barnett, Jun Wang, Sitarama R. Kada, Alban de Vaucorbeil, Andrew Stevenson, Marc Fivel, Peter A. Lynch

Summary: The elastic-plastic transition in magnesium alloy Mg-4.5Zn exhibits bursts of deformation, which are characterized by sudden changes in grain orientation. These bursts occur in a coordinated manner among nearby grains, with the highest burst rate observed at the onset of full plasticity. The most significant burst events are associated with twinning, supported by the observation of twinned structures using electron microscopy. The bursts are often preceded and followed by a stasis in peak movement, indicating a certain "birth size" for twins upon formation and subsequent growth at a later stage.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Atomistic simulations and machine learning of solute grain boundary segregation in Mg alloys at finite temperatures

Vaidehi Menon, Sambit Das, Vikram Gavini, Liang Qi

Summary: Understanding solute segregation thermodynamics is crucial for investigating grain boundary properties. The spectral approach and thermodynamic integration methods can be used to predict solute segregation behavior at grain boundaries and compare with experimental observations, thus aiding in alloy design and performance control.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Integrating abnormal thermal expansion and ultralow thermal conductivity into (Cd,Ni)2Re2O7 via synergy of local structure distortion and soft acoustic phonons

Feiyu Qin, Lei Hu, Yingcai Zhu, Yuki Sakai, Shogo Kawaguchi, Akihiko Machida, Tetsu Watanuki, Yue-Wen Fang, Jun Sun, Xiangdong Ding, Masaki Azuma

Summary: This study reports on the negative and zero thermal expansion properties of Cd2Re2O7 and Cd1.95Ni0.05Re2O7 materials, along with their ultra-low thermal conductivity. Through investigations of their structures and phonon calculations, the synergistic effect of local structure distortion and soft phonons is revealed as the key to achieving these distinctive properties.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

Semi-automatic miniature specimen testing method to characterize the plasticity and fracture properties of metals

Thomas Beerli, Christian C. Roth, Dirk Mohr

Summary: A novel testing system for miniature specimens is designed to characterize the plastic response of materials for which conventional full-size specimens cannot be extracted. The system has an automated operation process, which reduces the damage to specimens caused by manual handling and improves the stability of the test results. The experiments show that the miniature specimens extracted from stainless steel and aluminum have high reproducibility, and the results are consistent with those of conventional-sized specimens. A correction procedure is provided to consider the influence of surface roughness and heat-affected zone caused by wire EDM.

ACTA MATERIALIA (2024)

Article Materials Science, Multidisciplinary

The effect of microstructure and film composition on the mechanical properties of linear antenna CVD diamond thin films

Rani Mary Joy, Paulius Pobedinskas, Nina Baule, Shengyuan Bai, Daen Jannis, Nicolas Gauquelin, Marie-Amandine Pinault-Thaury, Francois Jomard, Kamatchi Jothiramalingam Sankaran, Rozita Rouzbahani, Fernando Lloret, Derese Desta, Jan D'Haen, Johan Verbeeck, Michael Frank Becker, Ken Haenen

Summary: This study investigates the influence of film microstructure and composition on the Young's modulus and residual stress in nanocrystalline diamond thin films. The results provide insights into the mechanical properties and intrinsic stress sources of these films, and demonstrate the potential for producing high-quality nanocrystalline diamond films under certain conditions.

ACTA MATERIALIA (2024)