Elastic shielding mediated by deformation twin facets in hexagonal close-packed metals
Not Available
Vo, H. T.↗
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Results for “McCabe”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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The MIGDAL experiment: Measuring a rare atomic process to aid the search for dark matter
We present the Migdal In Galactic Dark mAtter expLoration (MIGDAL) experiment aiming at the unambiguous observation and study of the so-called Migdal effect induced by fast-neutron scattering. It is hoped that this elusive atomic process can be exploited to enhance the reach of direct dark matter search experiments to lower masses, but it is still lacking experimental confirmation. Our goal is to detect the predicted atomic electron emission which is thought to accompany nuclear scattering with low, but calculable, probability, by deploying an Optical Time Projection Chamber filled with a low-pressure gas based on CF 4 . Initially, pure CF 4 will be used, and then in mixtures containing other elements employed by leading dark matter search technologies — including noble species, plus Si and Ge. High resolution track images generated by a Gas Electron Multiplier stack, together with timing information from scintillation and ionisation readout, will be used for 3D reconstruction of the characteristic event topology expected for this process — an arrangement of two tracks sharing a common vertex, with one belonging to a Migdal electron and the other to a nuclear recoil. Different energy-loss rate distributions along both tracks will be used as a powerful discrimination tool against background events. In this article we present the design of the experiment, informed by extensive particle and track simulations and detailed estimations of signal and background rates. In pure CF 4 we expect to observe 8.9 (29.3) Migdal events per calendar day of exposure to an intense D–D (D–T) neutron generator beam at the NILE facility located at the Rutherford Appleton Laboratory (UK). With our nominal assumptions, 5σ median discovery significance can be achieved in under one day with either generator.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Micromechanical properties of spherical and facetted He bubble loaded copper
Exploring new irradiation resistant materials requires understanding their mechanical responses to irradiation. Resistance to helium bubble formation and understanding bubble effects on the mechanical response of candidate materials are crucial factors to qualify materials as irradiation resistant. Here, in this paper, we explore the effect of spherical and facetted helium bubbles on the mechanical response of copper via in-situ micromechanical tensile testing at room temperature. Bubble formation and shape effects on strength and ductility, and their behavior on grain boundaries are discussed and compared to literature. Loading Cu with helium bubbles is shown here to increase strength but decrease ductility.
42 ENGINEERING↗
The locational value of distributed energy resources: A parcel-level evaluation of solar and wind potential in New York state
We report distributed energy resources (DERs) are poised to play a significant role in evolving power systems because of their flexibility to be sited in areas of high value to the grid. Traditional DER compensation frameworks, specifically net energy metering (NEM), inadequately communicate differences in the locational and temporal value of DER generation to the grid. As a transition from NEM, New York State's (NYS's) Value of Distributed Energy Resources (VDER) framework provides a methodology for calculating different value components that DERs offer the grid. To study the impacts of VDER frameworks on DER deployment, we developed a model to assess the value of distributed solar and wind systems configured as either a behind-the-meter system or a front-of-the-meter system for each parcel of land in NYS. Using parcel-level granularity, we can closely evaluate DER locational value and siting availability, particularly in urban and suburban settings. Our analysis finds while most DER generators would be modestly compensated for deferred transmission and distribution infrastructure upgrades (~0.01 $\$$/kWh for solar PV), a subset of projects receive significant value from this component (0.035 to 0.089 $\$$/kWh for top 5% of parcels for solar PV). Finally, our analysis finds VDER provides less overall compensation than NEM to the average DER generator, however, it increases access to compensation for front-of-the-meter DERs - a large and emerging market.
14 SOLAR ENERGY↗
Deformation behavior of CP-titanium under strain path changes: Experiment and crystal plasticity modeling
The deformation behavior of commercially pure rolled titanium subjected to strain path changes is studied using experiments and a crystal plasticity model. Four different loading combinations are performed at room temperature to study the activation of slip, twinning, de-twinning and double-twinning in hexagonal closed packed titanium. The strain paths considered are: rolling direction compression (RDC) followed by normal direction compression (NDC), RDC followed by transverse direction compression (TDC), NDC followed by RDC, and NDC followed by TDC. An EBSD-based analysis of the distribution of boundary misorientation angles before and after reload was developed to analyze the evolution of {$10\bar{1}2$} tensile and {$11\bar{2}2$} compression twins. This analysis supports the model results concerning the treatment of twin reorientation. A de-twinning and double-twinning model accounting for back stress effects, an important feature of strain path changes, is implemented within the framework of the visco-plastic self-consistent (VPSC) model along with a dislocation density (DD) based hardening scheme. In the model, plasticity is accommodated by prismatic $\langle$a$\rangle$, basal $\langle$a$\rangle$ and pyramidal $\langle$c+a$\rangle$ slip modes, and {$10\bar{1}2$} tensile and {$11\bar{2}2$} compression twinning modes. The VPSC model predicts the evolution of twinning, de-twinning and double-twinning processes for both tensile and compression twinning modes under strain path change. The model predicts macroscopic stress-strain response, texture evolution, and twin volume fraction that are in agreement with experimental observations. The evolution of texture is investigated in detail by separately analyzing the twinned domains, rather than the evolution of the global texture.
36 MATERIALS SCIENCE↗
Crystal mechanics-based thermo-elastic constitutive modeling of orthorhombic uranium using generalized spherical harmonics and first-order bounding theories
In earlier works, a mathematical procedure for invertible microstructure-property linkages was developed using computationally efficient spectral methods for polycrystalline cubic and hexagonal metals. This paper formulates such invertible microstructure–property linkages for orthorhombic polycrystalline metals relying on the generalized spherical harmonics (GSH) spectral basis. The procedure is used to compute property closures of orthorhombic polycrystals. The closures represent the complete set of theoretically possible combinations of effective properties for a selected material. The procedure relies on the first-order bounding theories and considers orientation distribution functions (ODFs) as the main microstructural descriptor influencing homogenized properties. Numerous examples of these closures involving second-rank thermal expansion and fourth-rank elastic stiffness tensorial properties over a broad range of temperatures are presented for α-uranium (α-U). In doing so, certain key properties of these closures are exploited to facilitate their computation with drastically reduced computational effort. Along with the recently developed GSH-based interpolation procedure for ODFs from coarsely spaced experimental measurement grids to finely spaced finite element mesh resolution grids presented in Barrett et al., the developed computationally efficient ODF-effective property linkages are used to establish a crystal mechanics-based simulation framework coupled with the finite element method (FEM). The ODF dependent thermal expansion and elastic stiffness tensors are efficiently calculated at every integration point and used by the FEM to predict the overall distortion of a hemispherical part made of α-U during heating. In conclusion, it is shown that the developed framework can be used to simulate microstructurally heterogeneous components under thermo-mechanical loadings in a computationally efficient manner.
36 MATERIALS SCIENCE↗
Microstructure segmentation using multi-angle polarized light microscopy
Not Available
McCabe, Rodney J.↗
Statistical characterization of twin transmission across grain boundaries in magnesium
Here, a detailed statistical analysis of twin transmission (TT) across grain boundaries is performed in rolled, commercial purity magnesium compressed along the rolling direction. EBSD images are acquired from two different cuts: a section containing the rolling (RD) and normal (ND) directions; and a section at 35° to the ND which contains transverse direction (TD). An automated twinning analysis software, METIS, is used to obtain the statistical correlations between deformation twins and other microstructural features by analyzing EBSD microstructures comprising thousands of grains and twins. This detailed statistical analysis reveals that the TT propensity is sensitive to the grain boundary (GB) misorientation angle but not to the GB misorientation axis. Specifically, TT propensity decreases with increasing GB misorientation angle; however, the decreasing trend is not monotonic. Further, the detailed analysis of TT events combining macroscopic Schmid factor and the geometric measures (m’: accounts for the alignment of both twin plane normal and shear directions; m”: accounts for the alignment of only twin shear directions; and m”’: accounts for the alignment of only twin plane normal) helps in understanding and identifying the process of twin-pair formation, i.e., co-nucleation versus transmission, also to identify the role of local stresses at GBs induced by inter-grain interaction versus twinning shear transformation processes. In addition, Bayesian inference is used to draw statistically meaningful conclusions as to the likelihood of transmission given misorientation angles. Lastly, twin chain frequency as a function of chain length is predicted using the probability distribution obtained from the Bayesian inference and compared with the actual data from the EBSD microstructures.
36 MATERIALS SCIENCE↗
Geometric compatibility measure m' for twin transmission: A predictor or descriptor?
In this work, the geometric compatibility factor m' is critically analyzed to assess whether it can be used to interpret/predict twin transmission (TT) across grain boundaries (GBs). This geometric measure is widely used to relate the likelihood of TT to the misalignment of both the shear and plane-normal directions within a twin set (i.e., incoming and outgoing twin). Here, using a large set of electron back scattering diffraction (EBSD) data, a detailed statistical analysis of twin-GB interactions is performed for {${1\bar{01}}2$} tensile twins in hexagonal close-packed (HCP) metals Mg, Zr, and Ti at different strain levels. In addition, a full-field crystal plasticity model is employed to quantify the role of local stresses and the applicability of m' as a criterion for the TT process. This combined study addresses the following three main questions: (i) What is the fidelity of m' in describing experimentally observed TTs? (ii) Can m' be used as a metric to predict/anticipate TT? (iii) Does m' naturally capture local stress effects? As a descriptor, m' cannot rationalize ~25% of TT events observed in Mg or more than 50% of TT events in Zr and Ti. As a predictor, the m'-measure does not predict TT events in over ~50% of twin-GB interactions analyzed. Further, the applicability of m' to describe and predict TT events decreases with an increase in elastic anisotropy, plastic anisotropy, and macroscopic strain levels. Finally, the twinning simulations reveal that m' does not capture the key effects of local stresses on variant selection upon twin transmission. The local stress induced by the twinning shear transformation plays a dominant role in driving the TT process compared to the geometric alignment of the constituting twins, i.e., m'.
36 MATERIALS SCIENCE↗
Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission
In polycrystals, the interaction of dislocations and twins with grain boundaries (GBs) plays a role in hardening and formability during plastic deformation. While dislocation-GB interactions are relatively well-understood, twin-GB interactions remain mostly unknown. In this work, an approach using molecular dynamics and phase-field simulations is followed to study the forward and lateral interactions between {$10\bar12$} twins and tilt grain boundaries in Mg. Molecular dynamics results show that the resolved shear stress on slip/twinning modes of the neighboring grain, not the geometric alignment, is the dominant factor in determining the outcome of the twin-GB interactions. For some lateral interaction configurations, as the misorientation angle increases, the resolved shear stress on the same {$10\bar12$} twin variant of the neighboring grain reduces while it increases for slip or I 2 stacking fault emissions or other twin modes such as {$11\bar12$} and {$10\bar11$}, explaining why twin transmission is not seen at high misorientation angles. Furthermore, lateral and forward interactions of the twin with tilt grain boundaries whose misorientation axes are normal to the coherent twin boundary show significantly different outcomes. For the forward interaction, the twin is absorbed and stacking faults are emitted when interacting for low misorientation angles (up to 30°) while the lateral interaction results in twin transmission, nucleation of a {$11\bar12$} twin, and emission of I 2 stacking faults. Finally, comparisons between twin interactions with symmetric and asymmetric tilt GBs with different GB structures show similar outcomes.
36 MATERIALS SCIENCE↗
Numerical and experimental characterization of twin transmission across grain boundaries along the forward and lateral directions
Pervasive deformation twinning and transmission events across grain boundaries (GBs) affect the strength and failure of hexagonal close-packed (HCP) magnesium. A three-dimensional twin can transmit along the twinning shear direction, (forward), and along the direction perpendicular to both the twinning plane normal and the shear direction, (lateral). For the first time, phase-field calculations and electron backscatter diffraction (EBSD)-based statistical analysis are combined to investigate the effect of the twinned grain boundary characteristics on twin transmission (TT) along the forward and lateral directions. This combined analysis reveals that TT propensity decreases with increasing misorientation angle across the GB for both forward and lateral directions. Also, the TT is more favorable along the lateral than along the forward direction. Twin transmission seems harder across GBs with a misorientation axis closer to the twin -direction than the other directions ( and ). Further, the PF calculations reveal that, at the onset of a transmission process, the crystallography tends to be preserved in the case of lateral transmission, whereas, in the forward transmission case, the transmitted twin punches straight through the GBs and its morphology prevails. Additionally, the EBSD analysis finds that pure forward and lateral transmissions do not occur often, yet reveals a preference for lateral propagation consistent with PF simulations. Further, the local twin transmission configurations observed in the actual material do not correspond to pure tilt or twist GBs, which are most commonly considered as model cases.
36 MATERIALS SCIENCE↗
Using molecular simulation to understand the skin barrier
Skin's effectiveness as a barrier to permeation of water and other chemicals rests almost entirely in the outermost layer of the epidermis, the stratum corneum (SC), which consists of layers of corneocytes surrounded by highly organized lipid lamellae. As the only continuous path through the SC, transdermal permeation necessarily involves diffusion through these lipid layers. The role of the SC as a protective barrier is supported by its exceptional lipid composition consisting of ceramides (CERs), cholesterol (CHOL), and free fatty acids (FFAs) and the complete absence of phospholipids, which are present in most biological membranes. Molecular simulation, which provides molecular level detail of lipid configurations that can be connected with barrier function, has become a popular tool for studying SC lipid systems. We review this ever-increasing body of literature with the goals of (1) enabling the experimental skin community to understand, interpret and use the information generated from the simulations, (2) providing simulation experts with a solid background in the chemistry of SC lipids including the composition, structure and organization, and barrier function, and (3) presenting a state of the art picture of the field of SC lipid simulations, highlighting the difficulties and best practices for studying these systems, to encourage the generation of robust reproducible studies in the future. This review describes molecular simulation methodology and then critically examines results derived from simulations using atomistic and then coarse-grained models.
59 BASIC BIOLOGICAL SCIENCES↗
The skin barrier: An extraordinary interface with an exceptional lipid organization
Not Available
Bouwstra, Joke A.↗
The effect of annealing on kink band formation in Ag/Fe nanolaminates
Kink banding is a common, though not well understood, failure mechanism in anisotropic materials such as nano metallic laminates (NMLs). In this work, we investigate the effect of annealing on kink band (KB) formation in Ag/Fe NMLs prepared by accumulative roll bonding (ARB) using in situ micropillar compression, scanning/transmission electron microscopy (S/TEM), and transmission Kikuchi diffraction (TKD) analyses. Our results show that annealing increases the KB initiation strain, decreases the probability of KB formation, and decreases the load drop magnitude accompanying kink banding in Ag/Fe NMLs. Post-compression analyses reveal that annealing facilitates more uniform deformation of pillars and affects the formation of geometrically necessary grain boundaries (GNBs) near the kink band boundary (KBB). Compared to its as-rolled counterpart, annealed Ag/Fe has wider KBs with blunter KBBs.
36 MATERIALS SCIENCE↗
Effect of dislocation slip and deformation twinning on the high-pressure phase transformation in Zirconium
Not Available
Kumar, M. Arul↗
Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors
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Horton, John R.↗