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NASA NTRS2013

Progress of a Cross-correlation Based Optical Strain Measurement Technique for Detecting Radial Growth on a Rotating Disk

The Aeronautical Sciences Project under NASAs Fundamental Aeronautics Program is extremely interested in the development of fault detection technologies, such as optical surface measurements in the internal parts of a flow path, for in situ health monitoring of gas turbine engines. In situ health monitoring has the potential to detect flaws, i.e. cracks in key components, such as engine turbine disks, before the flaws lead to catastrophic failure. In the present study, a cross-correlation imaging technique is investigated in a proof-of-concept study as a possible optical technique to measure the radial growth and strain field on an already cracked sub-scale turbine engine disk under loaded conditions in the NASA Glenn Research Centers High Precision Rotordynamics Laboratory. The optical strain measurement technique under investigation offers potential fault detection using an applied background consisting of a high-contrast random speckle pattern and imaging the background under unloaded and loaded conditions with a CCD camera. Spinning the cracked disk at high speeds induces an external load, resulting in a radial growth of the disk of approximately 50.8-m in the flawed region and hence, a localized strain field. When imaging the cracked disk under static conditions, the disk will appear shifted. The resulting background displacements between the two images will then be measured using the two-dimensional cross-correlation algorithms implemented in standard Particle Image Velocimetry (PIV) software to track the disk growth, which facilitates calculation of the localized strain field. In order to develop and validate this optical strain measurement technique an initial proof-of-concept experiment is carried out in a controlled environment. Using PIV optimization principles and guidelines, three potential backgrounds, for future use on the rotating disk, are developed and investigated in the controlled experiment. A range of known shifts are induced on the backgrounds; reference and data images are acquired before and after the induced shift, respectively, and the images are processed using the cross- correlation algorithms in order to determine the background displacements. The effectiveness of each background at resolving the known shift is evaluated and discussed in order to choose to the most suitable background to be implemented onto a rotating disk in the Rotordynamics Lab. Although testing on the rotating disk has not yet been performed, the driving principles behind the development of the present optical technique are based upon critical aspects of the future experiment, such as the amount of expected radial growth, disk analysis, and experimental design and are therefore addressed in the paper.

Clem, Michelle M.↗

DOE OSTI2020

An embedded 3D fracture modeling approach for simulating fracture-dominated fluid flow and heat transfer in geothermal reservoirs

In this paper, we describe an efficient modeling approach, named embedded discrete fracture method (EDFM), for incorporating arbitrary 3D, discrete fractures, such as hydraulic fractures or faults, into modeling fracture-dominated fluid flow and heat transfer in fractured geothermal reservoirs. This technique allows 3D discrete fractures to be discretized independently from surrounding rock volume and inserted explicitly into a primary fracture/matrix grid, generated without including 3D discrete fractures in prior. An effective computational algorithm is developed to discretize these 3D discrete fractures and construct local connections between 3D fractures and fracture/matrix grid blocks representing the surrounding rock volume. The constructed gridding information on 3D fractures is then added to the primary grid. This embedded fracture modeling approach can be directly implemented into a developed geothermal reservoir simulator via the integral finite difference (IFD) method or with TOUGH2 technology. This embedded fracture modeling approach is very promising and computationally efficient to handle realistic 3D discrete fractures with complicated geometries, connections, and spatial distributions. Compared with other fracture modeling approaches, it avoids cumbersome 3D unstructured, local refining procedures, and increases computational efficiency by simplifying Jacobian matrix size and sparsity, while maintaining enough accuracy. Several numeral simulations are presented to demonstrate the utility and robustness of the proposed technique. Our numerical experiments show that this approach captures all the key patterns about fluid flow and heat transfer dominated by fractures in these cases. Thus, this approach is readily available to the simulation of fractured geothermal reservoirs with both artificial and natural fractures.

15 GEOTHERMAL ENERGY↗

DOE OSTI2017

Distribution of fission products palladium, silver, cerium and cesium in the un-corroded areas of the locally corroded SiC layer of a neutron irradiated TRISO fuel particle

Here, detailed electron microscopy studies were performed to investigate the distribution and composition of fission products in the SiC layer of a tristructural isotropic coated particle exhibiting localized corrosion. Previous studies on this particle indicated that pure carbon areas in the SiC layer, resulting from localized corrosion of SiC by Pd, provide pathways for Ag, Cd and Cs migration. This study reveals the presence of Ag- and/or Cd-containing precipitates in un-corroded SiC areas. Ag/Cd may exist by themselves or coexist with Pd. Ag/Cd mainly transport along SiC grain boundaries. An Ag-Pd-Cd precipitate was identified at a stacking fault inside a SiC grain, suggesting that intragranular transport of Ag/Cd is possible. Ce is present with Pd or Pd-U in some precipitates >50 nm. U and Ce frequently coexist with each other, whereas Ag/Cd usually does not coexist with U or Ce. No Cs was detected in any precipitates in the areas examined.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

An Embedded 3D Fracture Modeling Approach for Simulating Fracture-Dominated Fluid Flow and Heat Transfer in Geothermal Reservoirs

An efficient modeling approach is described for incorporating arbitrary 3D, discrete fractures, such as hydraulic fractures or faults, into modeling fracture-dominated fluid flow and heat transfer in fractured geothermal reservoirs. This technique allows 3D discrete fractures to be discretized independently from surrounding rock volume and inserted explicitly into a primary fracture/matrix grid, generated without including 3D discrete fractures in prior. An effective computational algorithm is developed to discretize these 3D discrete fractures and construct local connections between 3D fractures and fracture/matrix grid blocks of representing the surrounding rock volume. The constructed gridding information on 3D fractures is then added to the primary grid. This embedded fracture modeling approach can be directly implemented into a developed geothermal reservoir simulator via the integral finite difference (IFD) method or with TOUGH2 technology This embedded fracture modeling approach is very promising and computationally efficient to handle realistic 3D discrete fractures with complicated geometries, connections, and spatial distributions. Compared with other fracture modeling approaches, it avoids cumbersome 3D unstructured, local refining procedures, and increases computational efficiency by simplifying Jacobian matrix size and sparsity, while keeps sufficient accuracy. Several numeral simulations are present to demonstrate the utility and robustness of the proposed technique. Our numerical experiments show that this approach captures all the key patterns about fluid flow and heat transfer dominated by fractures in these cases. Thus, this approach is readily available to simulation of fractured geothermal reservoirs with both artificial and natural fractures.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

Understanding long-term groundwater flow at Pahute Mesa and vicinity, Nevada National Security Site, USA, from naturally occurring geochemical and isotopic tracers

Abstract Recently collected naturally occurring geochemical and isotopic groundwater tracers were combined with historic data from the Pahute Mesa area of the Nevada National Security Site (NNSS), Nevada, USA, to provide insights into long-term regional groundwater flow patterns, mixing and recharge. Pahute Mesa was the site of 85 nuclear detonations between 1965 and 1992, many of them deeply buried devices that introduced radionuclides directly into groundwater. The dataset examined included major ions and field measurements, stable isotopes of hydrogen (δ 2 H), oxygen (δ 18 O), carbon (δ 13 C) and sulfur (δ 34 S), and radioisotopes of carbon ( 14 C) and chloride ( 36 Cl). Analysis of the patterns of groundwater 14 C data and the δ 2 H and δ 18 O signatures indicates that groundwater recharge is predominantly of Pleistocene age, except for a few localized areas near major ephemeral drainages. Steep gradients in sulfate (SO 4 ) and chloride (Cl) define a region near the western edge of the NNSS where high-concentration groundwater flowing south from north of the NNSS merges with dilute groundwater flowing west from eastern Pahute Mesa in a mixing zone that coincides with a groundwater trough associated with major faults. The 36 Cl/Cl and δ 34 S data suggest that the source of the high Cl and SO 4 in the groundwater was a now-dry, pluvial-age playa lake north of the NNSS. Patterns of groundwater flow indicated by the combined data sets show that groundwater is flowing around the northwest margin of the now extinct Timber Mountain Caldera Complex toward regional discharge areas in Oasis Valley.

58 GEOSCIENCES↗

DOE OSTI2021

Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites

Spinel iron oxide nanoparticles of different mean sizes in the range 10–25 nm have been prepared by surfactant-free up-scalable near- and super-critical hydrothermal synthesis pathways and characterized using a wide range of advanced structural characterization methods to provide a highly detailed structural description. The atomic structure is examined by combined Rietveld analysis of synchrotron powder X-ray diffraction (PXRD) data and time-of-flight neutron powder-diffraction (NPD) data. The local atomic ordering is further analysed by pair distribution function (PDF) analysis of both X-ray and neutron total-scattering data. It is observed that a non-stoichiometric structural model based on a tetragonal γ-Fe 2 O 3 phase with vacancy ordering in the structure (space group P 4 3 2 1 2) yields the best fit to the PXRD and total-scattering data. Detailed peak-profile analysis reveals a shorter coherence length for the superstructure, which may be attributed to the vacancy-ordered domains being smaller than the size of the crystallites and/or the presence of anti-phase boundaries, faulting or other disorder effects. The intermediate stoichiometry between that of γ-Fe 2 O 3 and Fe 3 O 4 is confirmed by refinement of the Fe/O stoichiometry in the scattering data and quantitative analysis of Mössbauer spectra. The structural characterization is complemented by nano/micro-structural analysis using transmission electron microscopy (TEM), elemental mapping using scanning TEM, energy-dispersive X-ray spectroscopy and the measurement of macroscopic magnetic properties using vibrating sample magnetometry. Notably, no evidence is found of a Fe 3 O 4 /γ-Fe 2 O 3 core-shell nanostructure being present, which had previously been suggested for non-stoichiometric spinel iron oxide nanoparticles. Finally, the study is concluded using the magnetic PDF (mPDF) method to model the neutron total-scattering data and determine the local magnetic ordering and magnetic domain sizes in the iron oxide nanoparticles. The mPDF data analysis reveals ferrimagnetic collinear ordering of the spins in the structure and the magnetic domain sizes to be ∼60–70% of the total nanoparticle sizes. The present study is the first in which mPDF analysis has been applied to magnetic nanoparticles, establishing a successful precedent for future studies of magnetic nanoparticles using this technique.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Mechanical behavior of a composite interface: Calcium-silicate-hydrates

The generalized stacking fault (GSF) is a conceptual procedure historically used to assess shear behavior of defect-free crystalline structures through molecular dynamics or density functional theory simulations. We apply the GSF technique to the spatially and chemically complex quasi-layered structure of calcium-silicate-hydrates (C-S-H), the fundamental nanoscale binder within cementitious materials. A failure plane is enforced to calculate the shear traction-displacement response along a composite interface containing highly confined water molecules, hydroxyl groups, and calcium ions. GSF simulations are compared with affine (homogeneous) shear simulations, which allow strain to localize naturally in response to the local atomic environment. Comparison of strength and deformation behavior for the two loading methods shows the composite interface controls bulk shear deformation. Both models indicate the maximum shear strength of C-S-H exhibits a normal-stress dependency typical of cohesive-frictional materials. These findings suggest the applicability of GSF techniques to inhomogeneous structures and bonding environments, including other layered systems such as biological materials containing organic and inorganic interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Implementation Plan for Combined Heat and Power Systems VOLTTRON Controller: Performance Monitoring and Real-Time Commissioning Algorithm Verification

Building-integrated cooling, heating, and power (CHP) systems are more efficient than conventional systems at providing local power and thermal energy, and favorable fuel prices are bound to spur their increased adoption. However, to realize the full benefit of the CHP systems, we must ensure persistence of energy efficient operations. Much of the inefficiency in the current building operations can be eliminated by use of automated performance monitoring (PM), real-time commissioning verification (CxV) and automated fault detection and diagnostic (AFDD) tools. Automation can help system operators make intelligent decisions. Remote and continuous monitoring of system conditions and performance will enable better management and integration of CHP with existing building systems. Continuous PM, real-time CxV, and AFDD could alleviate burdens for operations staff, enhance operations and maintenance (O&M), and improve reliability of building and CHP systems. To address the O&M challenges and to provide a means to maximize the rate-of-return of building-integrated CHP systems, the Building Technologies Office (BTO) within the U.S. Department of Energy’s (DOE’s) Office of Energy Efficiency and Renewable Energy (EERE) initiated a project to design, develop, and field test a VOLTTRON™-based supervisory controller and associated open-source algorithms. These algorithms will ensure real-time optimal operation of a building-integrated CHP system, support electric grid reliability, and lead to achieving the goal of clean, efficient, reliable, and affordable next-generation integrated energy system. Previous report listed the components for which PM, real-time CxV, and AFDD algorithms will be developed, how the algorithms will be tested, and the metrics that will be used to validate the algorithms and their ease of deployment. Deployment of these algorithms in the field will result in a reduction in energy consumption of between 10% and 20% (for both CHP and conventional building systems). This report builds upon the previous report by detailing the process by which PNNL will implement performance monitoring and real-time commissioning algorithms for CHP systems in conjunction with the use of the VOLTTRON CHP economic dispatch agent in host facilities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Real-time supervisory control implementation of SmAHTR power plant - 143

This paper discusses an implementation of a supervisory control system for a nuclear power plant model using Small modular Advanced High Temperature Reactors (SmAHTR). The simulation operates in real-time using a network of computer agents, implemented on Raspberry Pi's (RPi's), where each major task is performed by one or more RPi's running calculations in parallel. The system architecture contains local, module, master, and operator actions to automate all aspects of the plant. Local level controllers run individual control loops to ensure the desired reference signals are met. The module level controllers set the local level reference signals within each SMR unit and detect sensor and actuator failures to adjust those reference signals as needed. Master level controllers balance plant power by calculating required heat power from each reactor and electric power from each generator and sending that data to the module controllers. Finally, the operator level contains an operator interface to summarize data and faults gathered through the controller levels, with options to review plant and reactor details as desired. This control implementation allows the plant to run autonomously, load follow a desired electrical power curve, and detect a growing number of fault scenarios. Ultimately, this type of supervisory control system will reduce labor-intensive surveillance and testing and allow fewer operators to more safely monitor an entire plant. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Effects of strain rate on mechanical properties and deformation behavior of an austenitic Fe-25Mn-3Al-3Si TWIP-TRIP steel

The effects of quasi-static and low-dynamic strain rate (ε = 10 –4 /s to ε = 10 2 /s) on tensile properties and deformation mechanisms were studied in a Fe-25Mn-3Al-3Si (wt%) twinning and transformation-induced plasticity [TWIP-TRIP] steel. The fully austenitic microstructure deforms primarily by dislocation glide but due to the room temperature stacking fault energy [SFE] of 21 ± 3 mJ/m 2 for this alloy, secondary deformation mechanisms such as mechanical twinning (TWIP) and epsilon martensite formation (TRIP) also play an important role in the deformation behavior. The mechanical twins and epsilon-martensite platelets act as planar obstacles to subsequent dislocation motion on non-coplanar glide planes and reduce the dislocation mean free path. A high-speed thermal camera was used to measure the increase in specimen temperature as a function of strain, which enabled the use of a thermodynamic model to predict the increase in SFE. The influence of strain rate and strain on microstructural parameters such as the thickness and spacing of mechanical twins and epsilon-martensite laths was quantified using dark field transmission electron microscopy, electron channeling contrast imaging, and electron backscattered diffraction. The effect of sheet thickness on mechanical properties was also investigated. Increasing the tensile specimen thickness increased the product of ultimate tensile strength and total elongation, but had no significant effect on uniform elongation or yield strength. The yield strength exhibited a significant increase with increasing strain rate, indicating that dislocation glide becomes more difficult with increasing strain rate due to thermally-activated short-range barriers. Finally, a modest increase in ultimate tensile strength and minimal decrease in uniform elongation were noted at higher strain rates, suggesting adiabatic heating, slight changes in strain-hardening rate and observed strain localizations as root causes, rather than a significant change in the underlying TWIP-TRIP mechanisms at low values of strain.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Interaction of ultrashort laser pulses and silicon solar cells under short circuit conditions

Ultrashort pulse lasers are promising tools for numerous measurement purposes. Among other benefits their high peak powers allow for efficient generation of wavelengths in broad spectral ranges and at spectral powers that are orders of magnitude higher than in conventional light sources. Very recently this has been exploited for the establishment of sophisticated measurement facilities for electrical characterization of photovoltaic (PV) devices. As the high peak powers of ultrashort pulses promote nonlinear optical effects they might also give rise to nonlinear interactions with the devices under test that possibly manipulate the measurement outcome. In this paper, we present a comprehensive theoretical and experimental study of the nonlinearities affecting short circuit current (I{sub SC}) measurements of silicon (Si) solar cells. We derive a set of coupled differential equations describing the radiation-device interaction and discuss the nonlinearities incorporated in those. By a semi-analytical approach introducing a quasi-steady-state approximation and integrating a Green's function we solve the system of equations and obtain simulated I{sub SC} values. We validate the theoretical model by I{sub SC} ratios obtained from a double ring resonator setup capable for reproducible generation of various ultrashort pulse trains. Finally, we apply the model to conduct the most prominent comparison of I{sub SC} generated by ultrashort pulses versus continuous illumination. We conclude by the important finding that the nonlinearities induced by ultrashort pulses are negligible for the most common I{sub SC} measurements. However, we also find that more specialized measurements (e.g., of concentrating PV or Si-multijunction devices as well as highly localized electrical characterizations) will be biased by two-photon-absorption distorting the I{sub SC} measurement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations

We present the Materials Learning Algorithms (MALA) package, a scalable machine learning framework designed to accelerate density functional theory (DFT) calculations suitable for large-scale atomistic simulations. Using local descriptors of the atomic environment, MALA models efficiently predict key electronic observables, including local density of states, electronic density, density of states, and total energy. The package integrates data sampling, model training and scalable inference into a unified library, while ensuring compatibility with standard DFT and molecular dynamics codes. We demonstrate MALA's capabilities with examples including boron clusters, aluminum across its solid-liquid phase boundary, and predicting the electronic structure of a stacking fault in a large beryllium slab. Scaling analyses reveal MALA's computational efficiency and identify bottlenecks for future optimization. With its ability to model electronic structures at scales far beyond standard DFT, MALA is well suited for modeling complex material systems, making it a versatile tool for advanced materials research.

Density functional theory↗

NASA NTRS1977

Topography, structure, and mare ridges in southern Mare Imbrium and northern Oceanus Procellarum

The gross topography in southern Mare Imbrium and northern Oceanus Procellarum correlates with the buried structure and deposits of the Imbrium Basin and its rim, and many of the mare slopes may be depositional and reflect the pre-existing major features of the basin. Post-depositional, local distortion of the mare surface, however, is present and in many places associated with mare ridges. Many mare ridges are concentric to the Imbrium Basin suggesting that they are influenced by basin structures. Morphologic diversity of mare ridges suggests that not all have the same origin, and volcanic activity took place along some of them. Most mare ridges are associated with faults. The faults could be reverse and associated with a shrinking of the moon, however, some ridges parallel slopes and could be interpreted as decollement thrust faults along gliding horizons or as vertical faults caused by differential gravitational settling along lines that separate areas that are thinly flooded on topographic highs from areas that are thickly flooded in adjacent lows.

Lucchitta, B. K.↗

NASA NTRS1988

Radii, shapes, and topography of the satellites of Uranus from limb coordinates

The present use of limb coordinates to ascertain radii, shape and local topographic characteristics for the five large Uranian satellites directly measured satellite ellipsoidal shapes, determining radii with subpixel accuracy. While Umbriel, Titania, and Oberon are spherical, Miranda and Ariel are noted to be ellipsoids whose equatorial bulges agree with previously determined mean densities. Miranda's topography exhibits substantial deformation of cratered terrain and the younger coronae, as well as uplift and complex faulting at coronae margins.

Thomas, P. C.↗

NASA NTRS1991

On the initiation of subduction

Estimates of shear resistance associated with lithospheric thrusting and convergence represent lower bounds on the force necessary to promote trench formation. Three environments proposed as preferential sites of incipient subduction are investigated: passive continental margins, transform faults/fracture zones, and extinct ridges. None of these are predicted to convert into subduction zones simply by the accumulation of local gravitational stresses. Subduction cannot initiate through the foundering of dense oceanic lithosphere immediately adjacent to passive continental margins. The attempted subduction of buoyant material at a mature trench can result in large compressional forces in both subducting and overriding plates. This is the only tectonic force sufficient to trigger the nucleation of a new subduction zone. The ubiquitous distribution of transform faults and fracture zones, combined with the common proximity of these features to mature subduction complexes, suggests that they may represent the most likely sites of trench formation if they are even marginally weaker than normal oceanic lithosphere.

Mueller, Steve↗

NASA NTRS2024

Fault Diagnosis of Power Components with Reliability Assessment in Extraterrestrial Microgrids

This research investigates the possible failures caused by aging and other environmental and external factors that could significantly impact the performance of extraterrestrial power systems. Additionally, it presents a reliability assessment model for the space microgrid based on fault tree analysis (FTA). The reliability assessment model developed in this paper represents a tool that can be used by engineers to harden the system design for operational and economic benefits. To improve the reliability of the system, this work provides a broad review of the different fault detection and diagnosis (FDD) algorithms used for power microgrids and space applications. Using data sets from the Habitat Simulator developed through the NASA-funded Resilient Extraterrestrial Habitat Institute, this paper compares the applicability and accuracy of the different FDD methods. The primary FDD approach proposed and assessed in this work is based on the Markov reliability model. It predicts and detects future faults in the space microgrids by using past data samples and categorizing them into different classes. Data-driven-based models such as artificial neural networks are also investigated, tested, and evaluated using simulation data sets. According to the simulation results and the broad FDD algorithm comparison, this study provides the crew or maintenance engineers with a clear methodology to detect and localize power system failures.

Leila Chebbo↗

DOE OSTI2014

Polarized photoluminescence excitation spectroscopy of a-plane InGaN/GaN multiple quantum wells grown on r-plane sapphire

We have performed a detailed study of the impact of basal plane stacking faults (BSFs) on the optical properties of both a-plane InGaN/GaN quantum wells (QWs) and GaN template samples grown on r-sapphire. In particular, we have used polarised photoluminescence excitation spectroscopy (P-PLE) to investigate the nature of the low temperature recombination as well as extracting information on the valence band (VB) polarisation anisotropy. Our low temperature P-PLE results revealed not only excitons associated with intersubband quantum well transitions and the GaN barrier material but also a transition associated with creation of excitons in BSFs. The strength of this BSF transition varied with detection energy across the quantum well emission suggesting that there is a significant contribution to the emission line width from changes in the local electronic environment of the QWs due to interactions with BSFs. Furthermore, we observed a corresponding progressive increase in the VB splitting of the QWs as the detection energy was varied across the quantum well emission spectrum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

A seismic-based CO 2 -sequestration regional assessment of the Miocene section, northern Gulf of Mexico, Texas and Louisiana

Relying primarily on 3D-seismic data, an assessment of the major structural elements of the Miocene section, northern Gulf of Mexico (Texas and Louisiana), was initiated here to identify prospective subsurface areas for permanent geologic storage of anthropogenic CO 2 . Identifying and mapping fault planes and key stratigraphic surfaces in the seismic data helped identify several areas that may be suitable for Carbon Capture and Storage (CCS) projects of scale. Prospective sites that included proximity to anthropogenic sources of CO 2 , RMS amplitude intervals that indicate confining zones that greatly retard vertical migration of buoyant CO 2 , and structural closures were ranked on a regional scale. Local site (Site 1) assessment used hydrocarbon-based and volumetric-based methods to estimate the amount of CO 2 that can be safely injected into a prospective site’s permanent storage reservoirs.

58 GEOSCIENCES↗