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At least 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Effect of curing conditions on the dimensional and thermal stability of calcium phosphate cement for elevated temperature applications

Calcium phosphate cements (CPCs) are attractive materials for elevated temperature applications, like moulds to process thermoplastics up to 300 °C. The CPC resulting from the reaction of wollastonite with phosphoric acid cured at room temperature however contains hydrated phases like brushite, and is thus not stable when exposed to temperatures above 200 °C. A non-contact method based on digital image correlation demonstrated that isothermal curing at 60 °C reduces the thermal shrinkage up to 300 °C by 25%. This curing method results in the direct formation of the more stable monetite in a shorter curing time. The correlated results of TGA, pH of the filtration water, and DSC analysis on partially cured material indicate this. XRD diffractograms and SEM images in combination with EDX show the evolution of the transformation of wollastonite into monetite, and the structure and morphology of the formed material.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Effect of heat treatments on oxidation kinetics in AZ91 and AM60 magnesium alloys

The effect of heat treatments on a non protective atmosphere (air) on the morphology and composition of the oxide in AM60 and AZ91 alloys has been evaluated. With the aim of evaluating the loss of alloying elements during heat treatment, a study of these alloys has been carried out using thermogravimetric analysis (TGA). In order to determine the nature of the oxides the reaction products generated were evaluated by scanning electron microscopy and X-ray diffraction. Results show that the nature and morphology of the oxides generated are related to the temperature and the time of the heating conditions applied. - Highlights: {yields} The effect of heat treatments on the oxide growth in Mg-Al alloys has been evaluated. {yields} The nature and morphology of the oxides have been characterized. {yields} These oxides are associated to the time and the temperature conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Synthesis dependent characteristics of Sr{sub 1-x}Mn{sub x}TiO{sub 3} (x=0.03, 0.05, 0.07 and 0.09)

Sr{sub 1-x}Mn{sub x}TiO{sub 3} (where x=0.03, 0.05, 0.07 and 0.09) was synthesized via different routes that include solid-state, oxalate precipitation and freeze drying. In oxalate precipitation technique, compositions corresponding to 3 and 5 mol% doping of Mn were monophasic whereas the higher compositions revealed the presence of the secondary phases such as MnO, Mn{sub 3}O{sub 4} etc., as confirmed by high resolution X-ray diffraction (XRD) studies. The decomposition behavior of the precursors prepared using oxalate precipitation method corresponding to the above mentioned compositions was studied. Nanopowders of compositions pertaining to 5 to 9 mol% of Mn doping were obtained using freeze-drying technique. The average crystallite size of these nanopowders was found to be in the 35 to 65 nm range. The microstructural studies carried out on the sintered ceramics, fabricated using powders synthesized by different routes established the fine grained nature (<1 {mu}m) of the one obtained by freeze drying method. Raman scattering studies were carried out in order to complement the observations made from XRD regarding the phase purity. The dielectric properties of the ceramics obtained by different synthesis routes were studied in the 80-300 K temperature range at 100 kHz and the effect of grain size has been discussed. - Graphical abstract: XRD patterns of Sr{sub 1-x}Mn{sub x}TiO{sub 3} (x=0.03 and 0.05) obtained by oxalate precipitation technique along with that of the nanopowders for x=0.05, 0.07 and 0.09 obtained by freeze drying method, microstructural characterization and synthesis dependent dielectric behavior. Highlights: Black-Right-Pointing-Pointer Monophasic samples obtained for compositions Sr{sub 1-x}Mn{sub x}TiO{sub 3} with x=0.03 and 0.05. Black-Right-Pointing-Pointer Nanopowders of Sr{sub 1-x}Mn{sub x}TiO{sub 3} with x=0.05, 0.07 and 0.09 were synthesized by freeze-drying method. Black-Right-Pointing-Pointer Phase purity of samples synthesized using freeze drying method were studied at different sintering temperatures. Black-Right-Pointing-Pointer Analysis of Raman spectra for samples prepared by both oxalate precipitation and freeze-drying. Black-Right-Pointing-Pointer Microstructure dependent dielectric characteristics have been illustrated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Characterization of microstructure with low frequency electromagnetic techniques

A new computational method for characterizing the relationship between surface crystallography and electrical conductivity in anisotropic materials with low frequency electromagnetic techniques is presented. The method is discussed from the standpoint of characterizing the orientation of a single grain, as well as characterizing statistical information about grain ensembles in the microstructure. Large-area electron backscatter diffraction (EBSD) data was obtained and used in conjunction with a synthetic aperture approach to simulate the eddy current response of beta annealed Ti-6Al-4V. Experimental eddy current results are compared to the computed eddy current approximations based on electron backscatter diffraction (EBSD) data, demonstrating good agreement. The detectability of notches in the presence of noise from microstructure is analyzed with the described simulation method and advantages and limitations of this method are discussed relative to other NDE techniques for such analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Microstructure and mechanical behavior of direct metal laser sintered Inconel alloy 718

In this paper, we investigate microstructure and quasi-static mechanical behavior of the direct metal laser sintered Inconel 718 superalloy as a function of build direction (BD). The printed material was further processed by annealing and double-aging, hot isostatic pressing (HIP), and machining. We characterize porosity fraction and distribution using micro X-ray computed tomography (μXCT), grain structure and crystallographic texture using electron backscattered diffraction (EBSD), and mechanical response in quasi-static tension and compression using standard mechanical testing at room temperature. Analysis of the μXCT imaging shows that majority of porosity develops in the outer layer of the printed material. However, porosity inside the material is also present. The EBSD measurements reveal formation of columnar grains, which favor < 001 > fiber texture components along the BD. These measurements also show evidence of coarse-grained microstructure present in the samples treated by HIP. Finally, analysis of grain boundaries reveal that HIP results in a large number of annealing twins compared to that in samples that underwent annealing and double-aging. The yield strength varies with the testing direction by approximately 7%, which is governed by a combination of grain morphology and crystallographic texture. In particular, we determine tension–compression asymmetry in the yield stress as well as anisotropy of the material flow during compression. We find that HIP lowers yield stress but improves ductility relative to the annealed and aged material. These results are discussed and critically compared with the data reported for wrought material in the same condition. - Highlights: • Microstructure and mechanical properties of DMLS Inconel 718 are studied in function of build direction. • Inhomogeneity of microstructure in the material in several conditions is quantified by μXCT and EBSD. • Anisotropy and asymmetry in the mechanical response are determined by tension and compression testing.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Layered-structural monoclinic–orthorhombic perovskite La{sub 2}Ti{sub 2}O{sub 7} to orthorhombic LaTiO{sub 3} phase transition and their microstructure characterization

The layered-structural ceramics, such as lanthanum titanate (La{sub 2}Ti{sub 2}O{sub 7}), have been known for their good temperature and low dielectric loss at microwave frequencies that make them good candidate materials for high frequency applications. However, few studies have been conducted on the synthesis optimization by sol gel reaction, in particular by acrylamide polymerization route. The interest in La{sub 2}Ti{sub 2}O{sub 7} ceramic has been greatly increased recently due to the effect of oriented grains. This anisotropy of the microstructure leads to anisotropy in dielectric, electrical and mechanical properties. In this study, grain oriented lanthanum titanate was produced by the sol–gel acrylamide polymerization route. The characterizations of the samples were achieved by thermal analysis, X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and transmission electron microscopy (TEM). X-ray diffraction indicates that the formation of monoclinic perovskite La{sub 2}Ti{sub 2}O{sub 7} nanocrystals is a necessary first step to obtain orthorhombic LaTiO{sub 3} nanocomposites (with space group Pbnm). In this work we identified that the monoclinic perovskite La{sub 2}Ti{sub 2}O{sub 7} with space group P2{sub 1} transforms its structure into one with the orthorhombic space group Cmc2{sub 1} at approximately 1073 K. The microstructure associated consisted of flaky monoclinic La{sub 2}Ti{sub 2}O{sub 7} nanocomposites in comparison with round-shaped LaTiO{sub 3} nanocomposites. - Highlights: • The flaky-like La{sub 2}Ti{sub 2}O{sub 7} compound was synthesized by sol–gel acrylamide route. • Simultaneous monitoring of the DTA and XRD with temperature was performed. • Phase transformation characterization of La{sub 2}Ti{sub 2}O{sub 7} has been carried out. • The variation of the La{sub 2}Ti{sub 2}O{sub 7} and LaTiO{sub 3} grain morphology has been compared.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Coupling a Cellular Automaton Model with a Finite Element Model for Simulating Deformation and Recrystallization of a Low-Carbon Micro-alloyed Steel During Hot Compression

This study simulated the dynamic recrystallization (DRX) of a 2.25Cr-1Mo-0.25V steel by coupling a cellular automaton (CA) method with a finite element (FE) model. A secondary development program (SDP) on DEFORM-2D was carried out and the stress strain response, dislocation density evolution and DRX were considered. In this way, an interaction between the microstructural evolution and the deformation behavior can be taken into account. The values of temperature, strain and strain rate from the FE analysis were passed to the CA model. In turn, the recrystallized grain size and volume fraction of DRX predicted by the CA model were passed back to the FE model, which influenced the flow stress. To validate the SDP, the predicted loads and flow stress were compared with the experimental values, which show a good agreement. Then, the SDP program was used to simulate the microstructural evolution. Morphological characteristic, recrystallized grain size and volume fraction of DRX were predicted and compared with experimental data. The results show that the comparison is in a good agreement, which indicates the SDP is reliable.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural analysis of cortical porosity applied to HR-pQCT data

Purpose: The investigation of cortical porosity is an important aspect of understanding biological, pathoetiological, and biomechanical processes occurring within the skeleton. With the emergence of HR-pQCT as a noninvasive tool suitable for clinical use, cortical porosity at appendicular sites can be directly visualizedin vivo. The aim of this study was to introduce a novel topological analysis of the cortical pore network for HR-pQCT data and determine the influence of resolution on measures of cortical pore network microstructure and topology. Methods: Cadaveric radii were scanned using HR-pQCT at two different voxel sizes (41 and 82μm) and also using μCT at a voxel size of 18 μm. HR-pQCT and μCT image sets were spatially coregistered. Segmentation and quantification of cortical porosity (Ct.Po) and mean pore diameter (Ct.Po.Dm) were achieved using an established extended cortical analysis technique. Topological classification of individual pores was performed using topology-preserving skeletonization and multicolor dilation algorithms. Based on the pore skeleton topological classification, the following parameters were quantified: total number of planar surface-skeleton canals (N.Slabs), tubular curve-skeleton canals (N.Tubes), and junction elements (N.Junctions), mean slab volume (Slab.Vol), mean tube volume (Tube.Vol), mean slab orientation (Slab.θ), mean tube orientation (Tube.θ), N.Slabs/N.Tubes, and integral (total) slab volume/integral tube volume (iSlab.Vol/iTube.Vol). An in vivo reproducibility study was also conducted to assess short-term precision of the topology parameters. Precision error was characterized using root mean square coefficient of variation (RMSCV%). Results: Correlations toμCT values for Ct.Po were significant for both the 41 and 82 μm HR-pQCT data (41: r{sup 2} = 0.82, p < 0.001, 82: r{sup 2} = 0.75, p < 0.001). For Ct.Po.Dm, only the 41 μm data were significantly predictive of μCT values (r{sup 2} = 0.72, p < 0.01) Data at both HR-pQCT voxel sizes were strongly predictive of the μCT values for N.Slabs (41: r{sup 2} = 0.93, p < 0.001; 82: r{sup 2} = 0.84, p < 0.001), N.Tubes (41: r{sup 2} = 0.94, p < 0.001; 82: r{sup 2} = 0.84, p < 0.001), and N.Junctions (41: r{sup 2} = 0.93, p < 0.001; 82: r{sup 2} = 0.78, p < 0.001), though proportional bias was evident in these correlations. Weak correlations were seen for iSlab.Vol/iTube.Vol at both voxel sizes (41: r{sup 2} = 0.52, p < 0.01; 82: r{sup 2} = 0.39, p < 0.05). Slab.Vol was significantly correlated to μCT data at 41 μm (r{sup 2} = 0.60, p < 0.01) but not at 82 μm, while Tube.Vol was significantly correlated at both voxel sizes (41: r{sup 2} = 0.79, p < 0.001; 82: r{sup 2} = 0.68, p < 0.01). In vivo precision error for these parameters ranged from 2.31 to 9.68 RMSCV%. Conclusions: Strong correlations betweenμCT- and HR-pQCT-derived measurements were found, particularly in HR-pQCT images obtained at 41 μm. These data are in agreement with our previous study investigating the effect of voxel size on standard HR-pQCT metrics of trabecular and cortical microstructure, and extend our previous findings to include topological descriptors of the cortical pore network.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

A compositional gradient Ce1−xZrxO2 buffer architecture for producing high-performance YBCO film

Highlights: • The compositional gradient CZO buffer architecture can help improve the biaxial texture of YBCO film. • The high density stacking faults are directly observed via a spherical aberration corrected transmission electron microscope. • The enhanced flux pinning force and current-carrying capacity of YBCO films are achieved as a result of lattice strains. - Abstract: In this work, YBCO films were epitaxially grown on Ce{sub 1−x}Zr{sub x}O{sub 2} (CZO) buffered yttria stabilized zirconia (YSZ) single crystal substrates through a fluorine-free sol-gel process. The influence of two different CZO buffer architectures on the microstructure and superconducting properties of YBCO films was investigated. According to XRD results in combination with (S)TEM analysis, it was confirmed that YBCO film grown on the gradient CZO buffer layer (CZO-G) exhibits better in-plane and out-of-plane texture than YBCO film deposited on the uniform CZO buffer layer (CZO-20). And besides, the superconducting performances especially the current-carrying capacity under magnetic field of the former was much higher than that of the latter, which means that the enhanced flux pinning force will be presented in YBCO film on CZO-G buffer layer. The maximum pinning force of the YBCO film grown on CZO-G buffer architecture is up to 17.67 GN/m{sup 3} @ 65 K. HR-STEM analysis shows that the stacking faults within YBCO matrix gave rise to the considerable nanoscale lattice-strains which may suppress the formation of Copper pairs and produce nanoscale non-superconducting regions served as pinning centers to significantly improve the flux pinning performance of YBCO film. Given the above, it has been implied that high-performance YBCO coated conductor can be developed by using a compositional gradient Ce{sub 1−x}Zr{sub x}O{sub 2} films as buffer architecture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Deep Learning Pipeline for Optimizing Large-scale Phase Field Simulations

Phase field (PF) simulations are computationally expensive but remain a key analysis tool to understand the complex mechanisms of additive manufacturing (AM) processes. Each PF simulation-aided analysis requires thousands of node hours on leadership-class supercomputers. One of the main goals of these analyses is the study of microstructure evolution during the build process which begins with the onset of nucleation. Nucleation occurs under certain thermomechanical conditions which are not known a priori and many PF simulations are required to identify ranges of input thermo-mechanical parameters that can result in the onset of nucleation. Since many of the simulations do not result in nucleation, an analysis campaign often ends up wasting tremendous amounts of precious computing resources executing nucleation-absent simulations. The goal of this work is to design and train deep learning models to inform a PF simulation about the likelihood of the occurrence of nucleation in a future simulation time-step based on the state summary over a finite number of past time-steps of a running simulation. If the prediction determines that the running simulation is unlikely to reach nucleation in the allotted time, then its execution is stopped immediately ultimately resulting in vast reduction in wasted computations when accrued over all the PF simulations typically performed in a single or multiple analysis campaign(s). The paper presents the performance of a machine learning pipeline that uses a convolutional neural network (CNN) model to learn an embedding which is then used with a self-attention network to build a multi-task deep learning model to predict the likelihood of nucleation. The model also predicts the input parameters used in a simulation. Performance is compared with a baseline pipeline that uses an off-the-shelf LeNet-5 model to learn the initial embedding. Despite their smaller size, performance results indicate significant improvement in accuracy of the proposed models compared to the larger baseline models.

Kannan, Ramakrishnan {ramki}↗
DOE OSTI2018

Microstructural Characteristics and Mechanical Properties of an Electron Beam-Welded Ti/Cu/Ni Joint

Electron beam welding experiments of TA15 titanium alloy to GH600 nickel superalloy with and without a copper sheet interlayer were carried out. Surface appearance, microstructure and phase constitution of the joint were examined by optical microscopy, scanning electron microscopy and x-ray diffraction analysis. Mechanical properties of Ti/Ni and Ti/Cu/Ni joint were evaluated based on tensile strength and microhardness tests. The results showed that cracking occurred in Ti/Ni electron beam weldment for the formation of brittle Ni-Ti intermetallics, while a crack-free electron beam-welded Ti/Ni joint can be obtained by using a copper sheet as filler metal. The addition of copper into the weld affected the welding metallurgical process of the electron beam-welded Ti/Ni joint significantly and was helpful for restraining the formation of Ti-Ni intermetallics in Ti/Ni joint. The microstructure of the weld was mainly characterized by a copper-based solid solution and Ti-Cu interfacial intermetallic compounds. Ti-Ni intermetallic compounds were almost entirely suppressed. The hardness of the weld zone was significantly lower than that of Ti/Ni joint, and the tensile strength of the joint can be up to 282 MPa.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Decarburization and Carburization Behavior of Grade 91 Steel in Sodium Environments

Two heats of G91 steel have been investigated in sodium at 550-650°C to understand its corrosion behaviour, microstructural evolution, and tensile properties. Sodium exposure tests of subsized tensile and coupon specimens of G91 base metal and weldment were conducted in Argonne’s forced convection sodium materials testing loops. Maximum exposure times of ~39,000 h at 550°C, ~37,000 h at 600°C, and ~20,000 h at 650°C have been achieved, respectively. Thermal aging experiments of G91 steel were conducted in parallel, and the data of the sodium-exposed specimens were compared with the thermal aging data of the same heat to isolate the thermal aging effect from the effect of sodium exposure. It was found that the tensile strength of G91 steel can be reduced by more than 50% after sodium exposures at 650°C. The effect of a sodium environment on tensile properties is largely dependent on the carburization/decarburization behavior of G91 steel exposed to sodium. The carbon concentrations in sodium in Argonne’s SMT-1 and SMT-2 loops were determined by the equilibration method. The carbon activity in sodium was established by equilibrating high-purity nickel in sodium, analyzing the material for carbon, and using the reported data on the carbon solubility for this material. The carbon activity results were combined with the carbon solubility data in sodium to establish the carbon concentration in sodium. The carbon concentrations in the SMT-1 and SMT-2 loop were estimated to be 1.23 and 0.25 ppm, respectively. With this initial success, we will continue to monitor the carbon contents in the two loops to correlate the microstructural and mechanical property changes with the sodium purity. Future experiments will also consider sodium exposure tests in controlled carbon activities. Online monitoring and control of carbon contents in sodium in nuclear reactors would also be of interest. Thermodynamic analysis was conducted to understand the carburization-decarburization behavior of G91 steel exposed to sodium in the SMT-1 and SMT-2 loops. The equilibrium carbon activity in the alloy was evaluated by the thermodynamics of M 23 C 6 carbides. The calculated carburization-decarburization boundary showed that G91 would undergo decarburization at 650°C in the SMT-1 loop and carburization at 600°C in the SMT-2 loop, which is consistent with our findings from the sodium exposure tests. Future work will include thermodynamic analysis of the carbon concentration – activity relationship including the effect of carbide-forming elements, vanadium and niobium in G91 steel. Kinetics of carbon diffusion and the effect on microstructure and mechanical performance under various service conditions will also be investigated. The ultimate goal is to understand the mechanisms and the kinetics of carbon transfer in the sodium-steel system and to provide a basis for predicting the effect of long-term decarburization-carburization process on the integrity of reactor components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Ultrafine gradient microstructure induced by severe plastic deformation under sliding contact conditions in copper

Highlights: • Sliding contact produces a gradient microstructure by severe plastic deformation. • Nanohardness is increased strongly by grain size and dislocation hardening. • The texture components in the deformed layer correspond to pure shear. • Grain size distribution, boundary misorientation and KAM were analysed. • Strain induced effects compete with crystallisation to determine the microstructure. - Abstract: Sliding contact induces severe plastic deformation (SPD) at the surface of ductile materials and induces a microstructural gradient associated to a significant increase of hardness toward the surface. This gradient allows observing all stages of grain refinement in SPD, as illustrated here by the analysis of polycrystalline electrolytic copper tested in a coaxial tribometer. Materials tested in the cold-rolled state and after annealing were characterised by high-resolution electron backscattering diffraction and nano-indentation. The incremental plastic strain produces an ultrafine microstructure in the top layers, which gradually changes to the original size in unaffected material. In cold-rolled material, an intermediate recrystallised layer is observed. The separation of the Misorientation Angle Distribution (MAD) in a low-angle portion and a high angle portion allows characterising the accumulation of strain induced misorientation, while the Kernel Average Misorientation (KAM) provides information on the evolution of substructure at the finest levels. The results point toward a process where strain-induced effects compete continuously with recrystallisation, except for the surface layer in the cold-rolled material, where dynamic recrystallisation is dominant. Combining the information from KAM and subgrain size distribution, the measured hardness can be explained as a combination of grain size and dislocation hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Dislocation decorrelation and relationship to deformation microtwins during creep of a y' precipitate strengthened Ni-based superalloy

The evolution of microtwins during high temperature creep deformation in a strengthened Ni-base superalloy has been investigated through a combination of creep testing, TEM characterization, theoretical modeling and computer simulation. Experimentally, microtwin nucleation sources were identified and their evolution was tracked by characterizing the deformation substructure at different stages of the creep deformation. Initially, deformation is highly localized around stress concentrators such as carbides, borides and serrated grain boundaries, which act as sources of a/2<110> matrix type dislocations. Due to microstructural effects such as fine channels between particles and low matrix stacking fault energies, the a/2<110> matrix dislocations dissociate into a/6<112> Shockley partials, which were commonly observed to be decorrelated from one another, creating extended intrinsic stacking faults in the matrix. As deformation progress further, microtwins form via partial dislocations cooperatively shearing both and phases on adjacent {111} glide planes. The TEM observations lead directly to an analysis of dislocation-precipitate interactions. Through phase field simulations and theoretical analysis based on Orowan looping, the important processes of dislocation dissociation and decorrelation are modeled in detail, providing comprehensive insight into the microstructural features and applied stress conditions that favor the microtwinning deformation mode in strengthened Ni-based superalloys.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Forensic characterization of surrogate nuclear explosion debris: radiochemical and spectroscopic strategies for method validation

Surrogate nuclear explosion debris (SNED) has emerged as a critical platform for advancing post-detonation nuclear forensic analysis in the absence of readily accessible historic materials. SNED enables controlled investigation and validation of analytical methodologies used to interrogate the chemical, isotopic, radiological, and microstructural signatures preserved in nuclear explosion debris. This review presents an integrated assessment of destructive and non-destructive analytical techniques commonly employed within decision-driven nuclear forensic workflows. Each technique is discussed individually while highlighting how it contributes to different stages of post-detonation analysis. Core methods – including gamma and alpha spectrometry, ICP-MS, TIMS, SIMS, SEM-EDS, XRF, LIBS, vibrational spectroscopy, and X-ray absorption spectroscopy – are critically evaluated with respect to forensic maturity, information content, and matrix limitations. Emphasis is placed on the role of SNED in benchmarking multi-modal workflows and identifying gaps in reproducing heterogeneity, fractionation, and radiation-driven evolution relevant to forensic attribution.

X-ray spectroscopic methods↗
DOE OSTI2021

An FFT-based approach for Bloch wave analysis: application to polycrystals

A method based on the Fast Fourier Transform is proposed to obtain the dispersion relation of acoustic waves in heterogeneous periodic media with arbitrary microstructures. The microstructure is explicitly considered using a voxelized Representative Volume Element (RVE). The dispersion diagram is obtained solving an eigenvalue problem for Bloch waves in Fourier space. To this aim, two linear operators representing stiffness and mass are defined through the use of differential operators in Fourier space. The smallest eigenvalues are obtained using the implicitly restarted Lanczos and the subspace iteration methods, and the required inverse of the stiffness operator is done using the conjugate gradient with a preconditioner. The method is used to study the propagation of acoustic waves in elastic polycrystals, showing the strong effect of crystal anistropy and polycrystaline texture on the propagation. It is shown that the method combines the simplicity of classical Fourier series analysis with the versatility of Finite Elements to account for complex geometries proving an efficient and general approach which allows the use of large RVEs in 3D.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Effects of secondary void-initiating particles on the steady-state crack growth resistance of high-strength steel

In this investigation, we focus on the dependence of stable crack growth resistance, as measured by the short-rod fracture toughness test, on secondary void-initiating particles such as AlN and Ti-based grain-refining precipitates in a variety of high-strength steels with tempered martensitic microstructures. The model developed by Ritchie and Thompson is modified to illustrate the significant amounts of toughening that can result from the refinement of secondary particles. Analysis of the data suggests that material strength is a predominant factor in increasing the short-rod fracture toughness relative to linear-elastic measures of initiation fracture toughness, but the extent of toughening is limited by the size and number density of secondary particles in the microstructure. The variation in estimates of secondary microvoid initiation and growth strains with precipitate size reinforce the notion that primary fracture at non-metallic inclusions and secondary fracture at smaller particles occur as sequential processes with a degree of concurrence that is dependent on the state of precipitation in both particle dispersions. Toughening in this connection is maximized by increases in microvoid growth strain that result from decreases in the size and areal number density of secondary void-initiating particles. Finally, the occurrence of transient instabilities during crack extension in short-rod specimens is explained with a phenomenological model that relates crack growth stability to natural variations in the dispersion of secondary void-initiating particles in the microstructure.

42 ENGINEERING↗