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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Direct numerical simulation of mechanical response in synthetic additively manufactured microstructures

Additive manufacturing (AM) processes for metals can yield as-built microstructures that vary significantly from their cast or wrought counterparts. These microstructural variations can in turn, have profound effects on the properties of a component. Here, a modeling methodology is presented to investigate microstructurally-influenced mechanical response in additively manufactured structures via direct numeral simulation. Three-dimensional, synthetic voxelized microstructures are generated by kinetic Monte Carlo (kMC) additive manufacturing process simulations performed at four scan speeds to create a thin-wall cylindrical geometry notionally constructed using a concentric-pathed directed energy deposition AM process. The kMC simulations utilize a steady-state molten pool geometry that is held constant throughout the study. Resultant microstructures are mapped onto a highly-refined conformal finite-element mesh of a part geometry. A grain-scale anisotropic crystal elasticity model is then used to represent the constitutive response of each grain. Here, the response of the structure subjected to relatively simple load conditions is studied in order to provide understanding of both the influence of AM processing on microstructure as well as the microstructure's influence on the macroscale mechanical response.

42 ENGINEERING↗
DOE OSTI2018

Failure strength predictions for closed-cell polyvinyl chloride foams

This paper describes an effort to model mechanical strength of closed-cell polyvinyl chloride foams under static loading. The study presented here is a continuation of an earlier study to model elastic stiffness of closed-cell polyvinyl chloride foams as effective transversely isotropic materials. An engineering approach is used in the study and governing equations are developed for predicting the strength of polyvinyl chloride foams. To account for foam microstructure and cell-shape anisotropy on foam strength, a unit cell representation of the polyvinyl chloride foam microstructure is used to derive equations to assess tensile and shear strengths of polyvinyl chloride foams. The differential stretching of polyvinyl chloride foam cell walls (in the rise direction and in the in-plane directions) on the strength of the foam-matrix polymer is also taken into account in modeling the mechanical strength of polyvinyl chloride closed-cell foams. The behavior of closed-cell polyvinyl chloride foams under compression is different from that under tension. In the paper, the equations for predicting compressive strength of closed-cell polyvinyl chloride foams are based on an approximate theory developed in an earlier study of compressive strength of unidirectional composites. The validity of the foam strength predictive equations, derived in the paper, is first demonstrated through comparison of the predictions with the results on Divinycell H (DIAB) foams obtained from a systematic in-house test program. A comparison is also carried out between the strength predictions and the test results published by two polyvinyl chloride foam manufacturers for different density polyvinyl chloride foams. Good agreements are found for all the different density foams studied.

Lo, King H.↗
DOE OSTI2017

Efficient Stochastic Inversion Using Adjoint Models and Kernel-PCA

Performing stochastic inversion on a computationally expensive forward simulation model with a high-dimensional uncertain parameter space (e.g. a spatial random field) is computationally prohibitive even when gradient information can be computed efficiently. Moreover, the ‘nonlinear’ mapping from parameters to observables generally gives rise to non-Gaussian posteriors even with Gaussian priors, thus hampering the use of efficient inversion algorithms designed for models with Gaussian assumptions. In this paper, we propose a novel Bayesian stochastic inversion methodology, which is characterized by a tight coupling between the gradient-based Langevin Markov Chain Monte Carlo (LMCMC) method and a kernel principal component analysis (KPCA). This approach addresses the ‘curse-of-dimensionality’ via KPCA to identify a low-dimensional feature space within the high-dimensional and nonlinearly correlated parameter space. In addition, non-Gaussian posterior distributions are estimated via an efficient LMCMC method on the projected low-dimensional feature space. We will demonstrate this computational framework by integrating and adapting our recent data-driven statistics-on-manifolds constructions and reduction-through-projection techniques to a linear elasticity model.

42 ENGINEERING↗
DOE OSTI2016

Assessment of wildland fire impacts on watershed annual water yield: Analytical framework and case studies in the United States

More than 50% of water supplies in the conterminous United States originate on forestland or rangeland and are potentially under increasing stress as a result of larger and more severe wildfires. Little is known, however, about the long-term impacts of fire on annual water yield and the role of climate variability within this context. We here propose a framework for evaluating wildland fire impacts on streamflow that combines double-mass analysis with new methods (change point analysis, climate elasticity modeling, and process-based modeling) to distinguish between multiyear fire and climate impacts. The framework captures a wide range of fire types, watersheds characteristics, and climate conditions using streamflow data, as opposed to other approaches requiring paired watersheds. The process is illustrated with three case studies. A watershed in Arizona experienced a +266% increase in annual water yield in the 5 years after a wildfire, where +219% was attributed to wildfire and +24% to precipitation trends. In contrast, a California watershed had a lower (–64%) post-fire net water yield, comprised of enhanced flow (+38%) attributed to wildfire offset (–102%) by lower precipitation in the post-fire period. Changes in streamflow within a watershed in South Carolina had no apparent link to periods of prescribed burning but matched a very wet winter and reports of storm damage. As a result, the presented framework is unique in its ability to detect and quantify fire or other disturbances, even if the date or nature of the disturbance event is uncertain, and regardless of precipitation trends.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Aero‐servo‐elastic co‐optimization of large wind turbine blades with distributed aerodynamic control devices

Abstract This work introduces automated wind turbine optimization techniques based on full aero‐servo‐elastic models and investigates the potential of trailing edge flaps to reduce the levelized cost of energy (LCOE) of wind turbines. The Wind Energy with Integrated Servo‐control (WEIS) framework is improved to conduct the presented research. Novel methods for the generic implementation and tuning of trailing edge flap devices and their controller are also introduced. Primary flap and controller parameters are optimized to demonstrate potential maximum blade tip deflection reductions of 21 % . Concurrent design optimization (i.e., co‐design) of a novel segmented wind turbine blade with trailing edge flaps and its controller is then conducted to demonstrate blade cost savings of 5 % . Additionally, rotor diameter co‐design optimization is demonstrated to reduce the LCOE by 1.3 % without significant load increases to the tower. These results demonstrate the efficacy of control co‐design optimization using trailing edge flaps, and the entirety of this work provides a foundation for numerous control co‐design‐oriented studies for distributed aerodynamic control devices.

17 WIND ENERGY↗
DOE OSTI2016

Anderson Localization of Thermal Phonons Leads to a Thermal Conductivity Maximum

Our elastic model of ErAs disordered GaAs/AlAs superlattices exhibits a local thermal conductivity maximum as a function of length due to exponentially suppressed Anderson-localized phonons. By analyzing the sample-to-sample fluctuations in the dimensionless conductance, g, the transition from diffusive to localized transport is identified as the crossover from the multichannel to single-channel transport regime g ≈ 1. Single parameter scaling is shown to hold in this crossover regime through the universality of the probability distribution of g that is independent of system size and disorder strength.

42 ENGINEERING↗
DOE OSTI2018

Concept of Lattice Mismatch and Emergence of Surface States in Two-dimensional Hybrid Perovskite Quantum Wells

We present that surface states are ubiquitous to semiconductors and significantly impact the physical properties and, consequently, the performance of optoelectronic devices. Moreover, surface effects are strongly amplified in lower dimensional systems such as quantum wells and nanostructures. Layered halide perovskites (LHPs) are two-dimensional solution-processed natural quantum wells where optoelectronic properties can be tuned by varying the perovskite layer thickness n, i.e., the number of octahedra spanning the layer. They are efficient semiconductors with technologically relevant stability. Here, a generic elastic model and electronic structure modeling are applied to LHPs heterostructures with various layer thickness. We show that the relaxation of the interface strain is triggered by perovskite layers above a critical thickness. This leads to the release of the mechanical energy arising from the lattice mismatch, which nucleates the surface reorganization and may potentially induce the formation of previously observed lower energy edge states. Finally, these states, which are absent in three-dimensional perovskites are anticipated to play a crucial role in the design of LHPs for optoelectronic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High P‐T Sound Velocities of Amphiboles: Implications for Low‐Velocity Anomalies in Metasomatized Upper Mantle

Abstract Metasomatized mantle xenoliths containing hydrous minerals, such as amphiboles, serpentine, and phlogopite, likely represent the potential mineralogical compositions of the metasomatized upper mantle, where low seismic velocities are commonly observed. This study presents the first experimentally determined single‐crystal elasticity model of an Fe‐free near Ca, Mg‐endmember amphibole tremolite at high pressure and/or temperature conditions (maximum pressure 7.3(1) GPa, maximum temperature 700 K) using Brillouin spectroscopy. We found that sound velocities of amphiboles strongly depend on the Fe content. We then calculated the sound velocities of 441 hydrous‐mineral‐bearing mantle xenoliths collected around the globe, and quantitatively evaluated the roles that amphiboles, phlogopite and serpentine played in producing the low velocity anomalies in the metasomatized upper mantle.

Geology↗
DOE OSTI2021

Strain wave pathway to semiconductor-to-metal transition revealed by time-resolved X-ray powder diffraction

One of the main challenges in ultrafast material science is to trigger phase transitions with short pulses of light. Here we show how strain waves, launched by electronic and structural precursor phenomena, determine a coherent macroscopic transformation pathway for the semiconducting-to-metal transition in bistable Ti 3 O 5 nanocrystals. Employing femtosecond powder X-ray diffraction, we measure the lattice deformation in the phase transition as a function of time. We monitor the early intra-cell distortion around the light absorbing metal dimer and the long range deformations governed by acoustic waves propagating from the laser-exposed Ti 3 O 5 surface. We developed a simplified elastic model demonstrating that picosecond switching in nanocrystals happens concomitantly with the propagating acoustic wavefront, several decades faster than thermal processes governed by heat diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Dislocation-induced thermal transport anisotropy in single-crystal group-III nitride films

Dislocations, one-dimensional lattice imperfections, are common to technologically important materials such as III–V semiconductors, and adversely affect heat dissipation in, for example, nitride-based high-power electronic devices. For decades, conventional nonlinear elasticity models have predicted that this thermal resistance is only appreciable when the heat flux is perpendicular to the dislocations. However, this dislocation-induced anisotropic thermal transport has yet to be seen experimentally. Using time-domain thermoreflectance, we measure strong thermal transport anisotropy governed by highly oriented threading dislocation arrays throughout micrometre-thick, single-crystal indium nitride films. We find that the cross-plane thermal conductivity is almost tenfold higher than the in-plane thermal conductivity at 80 K when the dislocation density is ~3 × 10 10 cm –2 . Furthermore, this large anisotropy is not predicted by conventional models. With enhanced understanding of dislocation–phonon interactions, our results may allow the tailoring of anisotropic thermal transport with line defects, and could facilitate methods for directed heat dissipation in the thermal management of diverse device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Guided wave radiation from a point source in the proximity of a pipe bend

Throughout the oil and gas industry corrosion and erosion damage monitoring play a central role in managing asset integrity. Recently, the use of guided wave technology in conjunction with tomography techniques has provided the possibility of obtaining point-by-point maps of wall thickness loss over the entire volume of a pipeline section between two ring arrays of ultrasonic transducers. However, current research has focused on straight pipes while little work has been done on pipe bends which are also the most susceptible to developing damage. Tomography of the bend is challenging due to the complexity and computational cost of the 3-D elastic model required to accurately describe guided wave propagation. To overcome this limitation, we introduce a 2-D anisotropic inhomogeneous acoustic model which represents a generalization of the conventional unwrapping used for straight pipes. The shortest-path ray-tracing method is then applied to the 2-D model to compute ray paths and predict the arrival times of the fundamental flexural mode, A0, excited by a point source on the straight section of pipe entering the bend and detected on the opposite side. Good agreement is found between predictions and experiments performed on an 8” diameter (D) pipe with 1.5 D bend radius. The 2-D model also reveals the existence of an acoustic lensing effect which leads to a focusing phenomenon also confirmed by the experiments. The computational efficiency of the 2-D model makes it ideally suited for tomography algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Elastically Cooperative Activated Hopping Theory of Relaxation in Viscous Liquids. I. General Formulation and Application to Hard Sphere Fluids.

We generalize the force-level nonlinear Langevin equation theory of single particle hopping to includecollective effects associated with long range elastic distortion of the liquid. The activated alpharelaxation event is of a mixed spatial character, involving two distinct, but inter-related, local and collectivebarriers. There are no divergences at volume fractions below jamming or temperatures abovezero Kelvin. The ideas are first developed and implemented analytically and numerically in the contextof hard sphere fluids. In an intermediate volume fraction crossover regime, the local cage processis dominant in a manner consistent with an apparent Arrhenius behavior. The super-Arrhenius collectivebarrier is more strongly dependent on volume fraction, dominates the highly viscous regime,and is well described by a nonsingular law below jamming. The increase of the collective barrieris determined by the amplitude of thermal density fluctuations, dynamic shear modulus or transientlocalization length, and a growing microscopic jump length. Alpha relaxation time calculations arein good agreement with recent experiments and simulations on dense fluids and suspensions of hardspheres. Comparisons of the theory with elastic models and entropy crisis ideas are explored. Thepresent work provides a foundation for constructing a quasi-universal, fit-parameter-free theory forrelaxation in thermal molecular liquids over 14 orders of magnitude in time.

Mirigian, Stephen↗
DOE OSTI2015

Influence of pre-stress fields on electric properties of semiconductor nanowires

The effects of pre-stress field on the electric properties such as electron-acoustic phonon interaction and mobility are investigated for a rectangular silicon nanowire. The continuum elastic model is employed to calculate the spatially confined phonon dispersion relation. The electron-acoustic phonon scattering rate and the carrier mobility are obtained for stressed silicon nanowire. The numerical results show that the pre-stress field has a significant influence on the phonon properties, leading to completely altering the electron-acoustic phonon interaction. Under the tensile (compressive) pre-stress, the carrier mobility is reduced (enhanced) that is sensitive to the strength of corresponding stress fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The influence of hold time on the onset of plastic deformation in silicon

The transformation of diamond-cubic silicon to the metallic β-Sn phase is known to be “sluggish,” even when the critical pressure (∼11 GPa) for the transformation is reached. In this letter, we use nanoindentation to apply pressures to just above the critical threshold. In this regime, the sample displays purely elastic behavior at zero hold time. As the hold time at maximum load is increased up to 180 s, the percentage of indents that plastically deform also increase. Interestingly, the indents deform via one of two distinct processes: either via a phase transformation to a mixed bc8/r8-Si end phase, or by initiation of crystalline defects. Raman spectroscopy and cross-sectional transmission electron microscopy are used to show that the two deformation mechanisms are mutually exclusive under the indentation conditions presented here, and elastic modelling was utilized to propose a model for this mutually exclusive behavior. Hence, this behavior enhances the potential for application of the exotic bc8/r8-Si end phase.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Matrix-assisted relaxation in Fe(phen){sub 2}(NCS){sub 2} spin-crossover microparticles, experimental and theoretical investigations

In this study, we present the influence of the embedding matrix on the relaxation of Fe(phen){sub 2}(NCS){sub 2} (phen = 1,10-phenanthroline) spin-transition microparticles as revealed by experiments and provide an explanation within the framework of an elastic model based on a Monte-Carlo method. Experiments show that the shape of the high-spin → low-spin relaxation curves is drastically changed when the particles are dispersed in glycerol. This effect was considered in the model by means of interactions between the microparticles and the matrix. A faster start of the relaxation for microparticles embedded in glycerol is due to an initial positive local pressure acting on the edge spin-crossover molecules from the matrix side. This local pressure diminishes and eventually becomes negative during relaxation, as an effect of the decrease of the volume of spin-crossover microparticles from high-spin to low-spin.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Rare-earth high entropy alloys with hexagonal close-packed structure

The formation of octonary DyErGdHoLuScTbY and senary DyGdHoLaTbY and ErGdHoLaTbY high-entropy alloys (HEAs) with the hexagonal close-packed (HCP) structure was reported in this study. Experiments using scanning electron microscopy and x-ray diffraction confirmed the single HCP solid solution in the as-cast state for these three HEAs if the presence of minor rare-earth oxides due to contamination from processing is ignored. The measured compressive yield stress values for these HEAs at room temperature are 245, 205, and 360 MPa for the ErGdHoLaTbY, DyGdHoLaTbY, and DyErGdHoLuScTbY HEAs, respectively. As a result, the corresponding solid solution strengthening contributions for these HEAs were estimated using a simple elastic model, and the resulting contributions were 28 MPa, 27 MPa, and 42 MPa for the three aforementioned HEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Elastic-plastic conductor damage evaluation at over 0.4% strain using a high-stress REBCO coil

Abstract Recent reports on screening current stress simulations of high-field REBCO magnets frequently present peak stresses over 1 GPa. However, this result is probably an unrealistic artifact of purely elastic calculations, considering the macroscopic yield and fracture stresses of approximately 900 MPa and less than 1.1 GPa for Hastelloy substrate-coated conductors. Here, we evaluate elastic-plastic conductor damage at over 0.4% strain using a high-stress REBCO coil exposed to a high field to explore this elastic-plastic regime. The coil was located off-center in a low-temperature superconductor magnet so as to induce a significant screening current in the enhanced radial field. Voltage taps, a Hall sensor, and two strain gauges were used for the instrumentation. We obtained strains exceeding 0.4% near the outward edge during the coil current charge from 350 A to 390 A, where the coil was exposed to external axial and radial magnetic fields of 13 T and 0.5 T. Post mortem results showed wavy plastic deformation, electrical damage, and REBCO defects. An elastic-plastic simulation reproduced the measured strains and predicted that ∼1 GPa stress is sufficient to induce ∼0.9% strain, thus validating our initial concerns with purely elastic models. This paper provides our experimental and simulation results.

Bang, Jeseok (ORCID:0000000247616334)↗