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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Experimental Investigation of Elastodynamic Nonlinear Response of Dry Intact, Fractured and Saturated Rock

Nonlinear elastodynamic response of fractured rocks carries crucial information on fracture features that can be exploited to forecast flow properties, friction constitutive behavior and poromechanical response. Well-controlled laboratory experiments are designed to measure the nonlinear elastodynamic response of Westerly granite in three states: dry intact, dry fractured and saturated fractured. We study the effect of fracturing and saturation in modifying the elastodynamic response of the rock. Each sample is tested at a normal stress level of 15 MPa. We measure the elastodynamic response of an intact L-shaped sample of Westerly Granite subjected to normal stress oscillations of prescribed amplitudes (0.2–1 MPa) and frequencies (0.1, 1, 10 Hz). Ultrasonic waves transmitted across the sample are used to monitor the evolution of wave velocity before, during and after dynamic stressing. Furthermore, the nonlinearity of the elastodynamic response is measured in terms of: (1) the offset in normalized wave velocity; (2) the amplitude of wave velocity fluctuation during the oscillations; and (3) recovery rate of the wave velocity post-oscillation. We observe that the three nonlinearity parameters show a similar trend. Irrespective of the parameter, the nonlinearity measures higher for sample in dry-intact condition than that for dry-fractured and the saturated-fractured sample exhibits smaller nonlinearity than the dry-fractured sample. As expected, the saturated sample exhibits less nonlinearity than the dry intact and fractured samples due to the presence of interstitial fluid and the resulting increased interface stiffness. Conversely, the dry intact rock shows a higher nonlinearity than the dry fractured. We use numerical simulations to show that the presence of fracture significantly alters the strain distribution across the bulk of the sample and only the contacting asperities are highly strained, thus resulting in a decrease in the measured elastodynamic nonlinearity.

58 GEOSCIENCES↗
DOE OSTI2022

Correction to: Investigating the rheology of fluidized and non-fluidized gas-particle beds: implications for the dynamics of geophysical flows and substrate entrainment

We report natural geophysical mass flows are among the most complex granular systems and their dynamics are often modified by the presence of an interstitial fluid. Prediction of their runout requires the development of models estimating the solid stresses in these hazardous currents wherein excess pore-fluid pressure can develop. We use discrete element modelling (DEM-CFD) with a Coarse-Graining post-processing technique (CG) to investigate the rheology of unsteady gas-particle fluidized to non-fluidized granular beds placed on horizontal and inclined planes. Similar to fluidized beds immersed in viscous fluids, the effective friction coefficient of air-fluidized beds can be defined as a function of the classic μ(I)-rheology and the non-dimensional fluid or solid pressure to explain the failure and dynamics of granular flows with excess pore pressure on inclines. However, dilation imposed by fluid drag and particle collisions in gas-particle fluidized beds can drastically change its effective frictional properties. In contrast with the common assumption in water-particle flows that granular temperature is negligible, in our gas-particle simulations, the contribution of the velocity fluctuations to the stress tensor is significant. Hence, the shear stress is found to be non-zero even when the flow is fully fluidized in the inertial regime. These results suggest the need to better understand velocity fluctuations to predict the effective viscosity of sheared fluidized mixtures and are relevant for many applications. Notably, a unified approach is useful for many geophysical flows that encompass a range of fluidization conditions in a single flow such as pyroclastic density currents and snow avalanches.

58 GEOSCIENCES↗
DOE OSTI2018

The Influence of Modification on Crystal Lattice Stability of Austenite in Stainless Steel

Using the methods of electron diffraction microscopy and X-ray diffraction analysis, the influence of alloying of the austenitic steel, Grade 110H13, with chromium and vanadium, as well as high-melting, ultrafine-grained TiO{sub 2}, ZrO{sub 2} powders and Na{sub 3}AlF{sub 6} cryolite on its structural-phase state and microstructure is investigated. It is shown that the matrix of non-modified steel is completely austenitic and consists of an iron-based solid solution and the interstitial (C, N, O and other) and substitutional (Cr, V and other) atoms simultaneously. Alloying with chromium and vanadium changes neither its phase composition nor defect structure, while alloy modification results in qualitatively new structural features: γ → ε-transformation, high-intensity microtwinning, defect structure changes, and a sharp increase in the scalar dislocation density. The features of the deformation-induced microtwinning and ε-martensite plates identified in the modified steel promote revealing additional microtwin systems in the matrix γ-phase, which result in structural changes making it possible to classify it as a γ′-phase. It is found out that an introduction of modifying additions gives rise to the following sequence of structural-phase transformations: γ→γ′→(γ′ +ε). The experimental data obtained demonstrate that as a result of modification the crystal lattice transits into a low-stability state. This transition is accompanied by marked structural-phase changes consisting in the formation of several microtwin systems and γ → ε-transformation. These structural-phase changes in the modified steel are due to the crystal-lattice transition into the low-stability state, followed by new structural-phase alterations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of Dynamic Strain Aging on Tensile Deformation of 20MnMoNi55 Alloy

Results obtained from the uniaxial tensile tests of 20MnMoNi55 low-alloy RPV steel at different temperatures (varying from 27 to 450 °C) and straining rates (varying from 10{sup −5} to 10{sup −1} s{sup −1}) reveal that the material response is sensitive to both temperature and strain rate. For the range of temperature varying from 200 to 400 °C, in combination with different strain rates, the material shows negative strain rate sensitivity along with different kinds of serrated flow (between 200 and 310 °C), commonly termed as Portevin–Le Chatelier effect (types A, B and C). The material behavior, in that temperature–strain rate window, is described by dynamic strain aging (DSA) effect, and the changes in the mechanical properties of the material are studied. The DSA attribute of 20MnMoNi55 steel is characterized by calculating the activation energy. The x-ray diffraction technique and atomic percentage analysis using energy-dispersive x-ray suggest that the manganese influences the interstitial (carbon and/or nitrogen) diffusion by forming Mn-C and/or Mn-N pair, which can be a plausible cause of DSA in the material.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling of the Kinetics of Carbonitride Precipitation Process in High-Strength Low-Alloy Steels Using Cellular Automata Method

Proposition of a cellular automata (CA) model of carbonitride precipitation to simulate image of microstructure in HSLA steels and to predict the mechanical properties is presented in the paper. CA model proved to be very efficient in modeling various phenomena in material science. Numerical modeling played an important role in development of new processing technologies taking advantage of precipitation. By modeling, we mean a mathematical description of the relation between the main process variables and the resulting material properties, based on sound physical principles. In microalloyed steels, the microalloying elements Ti, Nb and V are added in order to control their microstructure and mechanical properties. High chemical affinity of these elements for interstitials (C, N) results in precipitation of binary compound, nitrides and carbides and products of their mutual solubility—carbonitrides. The model accounts for an increase in dislocation density due to plastic deformation and predicts kinetics of precipitation as well as shape of precipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Processing and Thermoelectric Properties of TiNiSn Materials: A Review

The half-Heusler alloy TiNiSn is a promising material for high-temperature thermoelectric applications due to its good thermal stability and semiconductor-like electrical properties. Numerous synthesis techniques have been utilized to make TiNiSn, but a comparative study on its thermoelectric properties with respect to processing parameters has not been reported. Based on published experimental data, primary melting methods, such as arc melting or induction levitation melting, do not have a noticeable effect on the final thermoelectric properties, although choice of densification technique and annealing parameters correlate with each thermoelectric property. Thermal conductivity (2.47-6.08 W/m K), governed by lattice scattering effects, was maximized with high density from the spark plasma sintering (SPS) technique as well with low inclusions of metallic impurities and interstitial Ni defects from low-temperature, non-densified processes. Electrical resistivity (4.75-30 µΩ m), inversely related to thermal conductivity, is minimized when density is maximized and chemical defects are favorable from using SPS. All reported TiNiSn alloys contain intermetallic impurities, imparting a global trend of lowered electrical resistivity. Seebeck coefficient (− 273.20 to − 50.71 µV/K), proportional to electrical resistivity, is maximized when charge carrier concentration is minimized by eliminating phase impurities and Ni defects. Porosity has been observed to scatter low-energy electrons, which can increase Seebeck coefficient and electrical resistivity, although no statistical significance is found. An ideal TiNiSn alloy should have intermediate values of all interconnected thermoelectric properties to maximize ZT. Future research work should strive to include quantitative phase analysis to better characterize the contributions of Ni defects and impurity phases toward thermoelectric properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

High Temperature Corrosion of a Pt-30 wt.% Rh Alloy in a Phosphorizing Gas

High temperature corrosion of a Pt-30 wt.% Rh alloy in a phosphorizing gas was isothermally investigated at 1285 K using a gas switching technique. Diffusion of P into the alloy created an outer layer of Pt-rich liquid and blocky (Pt, Rh) 2 P precipitates along with an inner layer of fcc and (Pt, Rh) 2 P plates in a cellular microstructure. Concentration profiles measured by SEM-WDS and EPMA across the layers at room temperature showed that there were three fcc phases: first was a 12 at.% Rh phase in the outer layer; second was a 37 at.% Rh phase in the cellular microstructure; and third was the initial 43 at.% Rh alloy. Also, the EPMA data registered approximately 0.1 at.% P in fcc of these layers. Based on the surrounding binary phase diagrams and the experimental data obtained in this study, a partial Pt-Rh-P phase diagram was constructed. A diffusion path for the corrosion microstructure was drawn on the partial phase diagram to help develop a step by step model for how the microstructure evolved. In conclusion, growth kinetics of the inner layer were used to calculate a P diffusivity of about 10 –12 m 2 /s in the Pt-Rh alloy at 1285 K, suggesting rapid diffusion by either an interstitial or interstitialcy mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Molecular Statics Analyses of Thermodynamics and Kinetics of Hydrogen Cottrell Atmosphere Formation Around Edge Dislocations in Aluminum

Aluminum alloys are being explored as lightweight structural materials for use in hydrogen-containing environments. In this paper, to understand hydrogen effects on deformation, we perform molecular statics studies of the hydrogen Cottrell atmosphere around edge dislocations in aluminum. First, we calculate the hydrogen binding energies at all interstitial sites in a periodic aluminum crystal containing an edge dislocation dipole. This allows us to use the Boltzmann equation to quantify the hydrogen Cottrell atmosphere. Based on these binding energies, we then construct a continuum model to study the kinetics of the hydrogen Cottrell atmosphere formation. Finally, we compare our results with existing theories and discuss the effects of hydrogen on deformation of aluminum-based alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Real-world study of afatinib in first-line or re-challenge settings for patients with EGFR mutant non-small cell lung cancer

Afatinib, a second-generation epidermal growth factor receptor (EGFR)—tyrosine kinase inhibitor (TKI) for mutant non-small cell lung cancer (NSCLC), was approved in Japan in 2014. This study evaluated clinical outcomes of afatinib in real-world practice. Medical records of patients who received afatinib for advanced EGFR-mutant NSCLC were retrospectively reviewed. In total, 128 patients were analyzed. Seventy-six patients received afatinib as the first-line setting and 52 as the re-challenge setting (i.e., after failure of prior first-generation TKI). There was no difference in patient characteristics, such as age, sex, and PS, between the first-line and the re-challenge settings. In the first-line setting, the median progression-free survival (PFS) was 17.8 months (95% confidence interval [CI] 13.7–21.5 months). The overall survival (OS) was 39.5 months (95% CI 34.4- not reached). The response rate (RR) was 64.4%. Subset analysis indicated that patients with dose reduction showed longer PFS than those without dose reduction (18.5 months versus 7.9 months) (P = 0.016). In the re-challenge setting, the median PFS was 8.0 months (95% CI 4.9–9.5 months). The RR was 25%. Most common adverse events leading to dose modification or treatment discontinuation included diarrhea, paronychia, and oral mucositis in both settings. Interstitial lung disease occurred in 5.4% (7/128). In the real-world practice in Japan, afatinib showed comparable or better efficacy compared with that shown in previous clinical trials in both the first-line and the re-challenge settings.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Prolonged dipyridamole administration reduces myocardial perfusion defects in experimental chronic Chagas cardiomyopathy

Background: Myocardial perfusion defects (MPD) due to coronary microvascular dysfunction is frequent in chronic Chagas cardiomyopathy (CCC) and may be involved with development of myocardial damage. We investigated whether MPD precedes left ventricular systolic dysfunction and tested the hypothesis that prolonged use of dipyridamole (DIPY) could reduce MPD in an experimental model of CCC in hamsters. Methods and results: We investigated female hamsters 6-months after T. cruzi infection (baseline condition) and control animals, divided into T. cruzi-infected animals treated with DIPY (CH + DIPY) or placebo (CH + PLB); and uninfected animals treated with DIPY (CO + DIPY) or placebo (CO + PLB). The animals were submitted to echocardiogram and rest SPECT-Sestamibi-Tc99m myocardial perfusion scintigraphy. Next, the animals were treated with DIPY (4 mg/kg bid, intraperitoneal) or saline for 30 days, and reevaluated with the same imaging methods. At baseline, the CH + PLB and CH + DIPY groups showed larger areas of perfusion defect (13.2 ± 13.2% and 17.3 ± 13.2%, respectively) compared with CO + PLB and CO + DIPY (3.8 ± 2.2% e 3.5 ± 2.7%, respectively), P < .05. After treatment, we observed: reduction of perfusion defects only in the CH + DIPY group (17.3 ± 13.2% to 6.8 ± 7.6%, P = .001) and reduction of LVEF in CH + DIPY and CH + PLB groups (from 65.3 ± 9.0% to 53.6 ± 6.9% and from 69.3 ± 5.0% to 54.4 ± 8.6%, respectively, P < .001). Quantitative histology revealed greater extents of inflammation and interstitial fibrosis in both Chagas groups, compared with control group (P < .001), but no difference between Chagas groups (P > .05). Conclusions: The prolonged use of DIPY in this experimental model of CCC has reduced the rest myocardial perfusion defects, supporting the notion that those areas correspond to viable hypoperfused myocardium.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Cystic Lung Disease from Protein Deposition: Pathogenesis and Associated Conditions

Purpose of Review: We explicate the development of cystic lung disease from the deposition of protein in the lung. The protein may be in the form of amyloid or non-amyloid (typically immunoglobulin-associated light chains) and is usually seen in the context of three entities: idiopathic light-chain deposition disease, Sjogren’s syndrome, and clonal lymphoplasmacytic proliferative disorders. A commonly observed and distinctive feature of the circumscribed cystic spaces is the presence of internal tissue septations. Recent Findings: The traditional causal association of lung cysts and the pathologic entity of lymphocytic interstitial pneumonitis is untenable. Instead, the development of cysts as a consequence of the degradation of lung extracellular matrix by metalloproteinases, the process initiated with the accumulation of macrophages around deposited protein, is a compelling alternative explanation. Summary: Lung cysts may be a consequence of parenchymal protein deposition. When internal septations are present, this particular pathogenesis should explicitly be considered, and the presence of associated clinical disorders further pursued.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Cavity Swelling in Irradiated Materials

Cavity swelling, due to three-dimensional clustering of vacancies, is an undesirable isotropic volume expansion of materials under irradiation. This phenomenon occurs above stage-III recovery temperature where vacancies are mobile, between ~0.3–0.6 Tm where Tm is the absolute melting temperature. The primary mechanism for cavity swelling is “dislocation bias”, i.e., preferential absorption of interstitials by network dislocations, causing a vacancy supersaturation. Cavity swelling is highly temperature dependent and typically follows a bell-shaped curve with peak swelling occurring at an intermediate temperature. With increasing temperature, cavity size increases, and number density decreases logarithmically. With increasing dose, cavity swelling increases, but follows a hockey-stick type pattern, characterized by a low-swelling transient incubation period and then a steady-state regime. The incubation period, dominant in cavity nucleation, is dependent upon material’s chemistry and irradiation conditions such as dose rate/temperature. Cavity swelling increases linearly with dose in the steady-state regime, that is independent of chemistry and dose rate. This regime is dominated by cavity growth. Transmutation gases like He enhance cavity nucleation such that an early onset of cavity formation occurs. However, swelling magnitudes can be either increased or suppressed when He is present. Results in austenitic steels and Cu indicate that cavity swelling peaks at intermediate He/dpa ratios of ~10 appm He/dpa. The most effective method to mitigate cavity swelling is by increasing the fixed point-defect sink density, by promoting precipitation or dispersion strengthening.

Bhattacharya, Arunodaya↗
DOE OSTI2016

Temperature dependence of the radiation tolerance of nanocrystalline pyrochlores A 2 Ti 2 O 7 (A = Gd, Ho and Lu)

A potentially enhanced radiation resistance of nanocrystalline materials, as a consequence of the high density of interfaces and surfaces, has attracted much attention both to understand the fundamental role of these defect sinks and to develop them for high-radiation environments. Here, irradiation response of nanocrystalline A 2 Ti 2 O 7 (A = Gd, Ho and Lu) pyrochlore powders with grain sizes of 20–30 nm was investigated by 1-MeV Kr 2+ ion bombardment. In situ transmission electron microscopy (TEM) revealed that the critical amorphization fluence for each nanocrystalline compound at room temperature was greater than that for their coarse-grained counterparts, indicating an enhanced amorphization resistance. The effect of temperature on the irradiation response of one of these compounds, nanocrystalline Lu 2 Ti 2 O 7 , was further examined by performing ion irradiation at an elevated temperature range of 480–600 K. The critical amorphization temperature (T c ) was found to be noticeably higher in nanocrystalline Lu 2 Ti 2 O 7 (610 K) than its coarse-grained counterpart (480 K), revealing that nanocrystalline Lu 2 Ti 2 O 7 is less resistant to amorphization compared to its coarse-grained phase under high temperatures. We interpret these results with the aid of atomistic simulations. Molecular statics calculations find that cation antisite defects are less energetically costly to form near surfaces than in the bulk, suggesting that the nanocrystalline form of these materials is generally less susceptible to amorphization than coarse-grained counterparts at low temperatures where defect kinetics are negligible. In contrast, at high temperatures, the annealing efficiency of antisite defects by cation interstitials is significantly reduced due to the sink properties of the surfaces in the nanocrystalline pyrochlore, which contributes to the observed higher amorphization temperature in the nano-grained phase than in coarse-grained counterpart. Altogether, these results provide new insight into the behavior of nanocrystalline materials under irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A computational study of yttria-stabilized zirconia: II. Cation diffusion

Cubic yttria-stabilized zirconia is widely used in industrial electrochemical devices. While its fast oxygen ion diffusion is well understood, why cation diffusion is much slower—its activation energy (~5 eV) is 10 times that of anion diffusion—remains a mystery. Indeed, all previous computational studies predicted more than 5 eV is needed for forming a cation defect, and another 5 eV for moving one. In contrast, our ab initio calculations have correctly predicted the experimentally observed cation diffusivity. We found Schottky pairs are the dominant defects that provide cation vacancies, and their local environments and migrating path are dictated by packing preferences. As a cation exchanges position with a neighboring vacancy, it passes by an empty interstitial site and severely displaces two oxygen neighbors with shortened Zr-O distances. This causes a short-range repulsion against the migrating cation and a long-range disturbance of the surrounding, which explains why cation diffusion is relatively difficult. In comparison, cubic zirconia's migrating oxygen only minimally disturbs neighboring Zr, which explains why it is a fast oxygen conductor.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Preferential diffusion in concentrated solid solution alloys: NiFe, NiCo and NiCoCr

In single-phase concentrated solid-solution alloys (CSAs), including high entropy alloys (HEAs), remarkable mechanical properties are exhibited, as well as extraordinary corrosion and radiation resistance compared to pure metals and dilute alloys. But, the mechanisms responsible for these properties are unknown in many cases. In this work, we employ ab initio molecular dynamics based on density functional theory to study the diffusion of interstitial atoms in Ni and Ni-based face-centered cubic CSAs including NiFe, NiCo and NiCoCr. We model the defect trajectories over >100 ps and estimate tracer diffusion coefficients, correlation factors and activation energies. Furthermore, we found that the diffusion mass transport in CSAs is not only slower than that in pure components, i.e. sluggish diffusion, but also chemically non-homogeneous. The results obtained here can be used in understanding and predicting the atomic segregation and phase separation in CSAs under irradiation conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Radiation instability of equal channel angular extruded T91 at ultra-high damage levels

Although several studies have shown that nano-grained alloys have higher radiation resistance than coarse-grained variants, with dense grain boundary structures acting as defect sinks to remove damage, the present study shows the failure of severe deformation to suppress void swelling in T91 alloy at ultra-high damage levels. Fe self-ion irradiation up to 1000 peak dpa produced significantly more swelling in extruded T91 than conventional T91 at 475 °C. Dramatic radiation-enhanced grain growth was observed in the extruded T91, manifested in two rapid grain growth stages. One stage occurs at a relatively low damage level, and the other at a higher damage level beyond 750 peak dpa. The second rapid growth stage is correlated with void swelling and starts at the end of the swelling incubation period. The study suggests that the defect sink properties of the growing grain boundaries under a coarsening process are different from that of stable boundary configurations. When void swelling becomes significant and voids act as a biased sink for vacancies, the growing grain boundaries act as a biased sink for interstitials, leading to rapid growth at higher damage levels.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dislocation loop evolution during in-situ ion irradiation of model FeCrAl alloys

Model FeCrAl alloys of Fe-10%Cr-5%Al, Fe-12%Cr-4.5%Al, Fe-15%Cr-4%Al, and Fe-18%Cr-3%Al (in wt %) were irradiated with 1 MeV Kr++ ions in-situ with transmission electron microscopy to a dose of 2.5 displacements per atom (dpa) at 320 °C. In all cases, the microstructural damage consisted of dislocation loops with ½< 111 > and <100 > Burgers vectors. The proportion of ½< 111 > dislocation loops varied from ~50% in the Fe-10%Cr-5%Al model alloy and the Fe-18Cr%-3%Al model alloy to a peak of ~80% in the model Fe-15%Cr-4.5%Al alloy. The dislocation loop volume density increased with dose for all alloys and showed signs of approaching an upper limit. The total loop populations at 2.5 dpa had a slight (and possibly insignificant) decline as the chromium content was increased from 10 to 15 wt %, but the Fe-18%Cr-3%Al alloy had a dislocation loop population ~50% smaller than the other model alloys. As a result, the largest dislocation loops in each alloy had image sizes of close to 20 nm in the micrographs, and the median diameters for all alloys ranged from 6 to 8 nm. Nature analysis by the inside-outside method indicated most dislocation loops were interstitial type.

36 MATERIALS SCIENCE↗