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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Stacking Faults and Short-Range Magnetic Correlations in Single Crystal Y 5 Ru 2 O 12 : A Structure with Ru +4.5 One-Dimensional Chains

In this paper, the synthesis, structure, and physical properties of Y 5 Ru 2 O 12 , a new member of the Ln 5 B 2 O 12 class (Ln = lanthanide, B = Ru, Re, Mo) are reported. Single crystals of Y 5 Ru 2 O 12 are synthesized using a high-temperature, high-pressure (700 °C, 200 MPa) hydrothermal method. The structure features edge-sharing Ru—O—Ru 1D chains of distorted RuO6 octahedra. The YO n (n = 6 and 7) polyhedral groups bridge Ru—O—Ru chains across the unit cell by forming a complex 3D structure. The Ru—O—Ru chains contain alternating shorter and longer Ru—Ru distances along the chain. Single crystal neutron diffraction shows streak-like diffuse scattering along the H-direction, due to stacking faults. Temperature-dependent anisotropic magnetic measurements reveal a broad feature over a wide temperature range, with a maximum at ≈70 K indicating potential short-range ordering, with canted antiferromagnetic behavior below 30 K. The dominant magnetic interactions are antiferromagnetic with a large negative Weiss temperature θ ≈ –200 K. The compound has an effective magnetic moment that is anomalously large for this class of compounds (≈4 μ B Ru –1 ), and a phenomenological spin Hamiltonian describing the unusual anisotropic magnetization of Y 5 Ru 2 O 12 is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Assessment of oil and gas fields in California as potential CO 2 storage sites

California's total annual greenhouse gas (GHG) emissions (425.3 MtCO 2 e) in 2018 were about 6.4% of the US total (6,677 MtCO 2 e) and around 1% of global emissions. About 39% of 2018 GHG emissions in California were from the industrial and electrical sectors. Many of these emissions were from large stationary point sources and were suitable for carbon capture retrofit with subsequent storage of the captured carbon dioxide (CO 2 ) in geological formations. Previous studies of California found suitable geology and CO 2 storage resource. This study refines and furthers prior work using a three-stage screening process of oil fields, gas fields, and underground natural gas storage (UGS) sites by combining criteria from previous studies while excluding sites that pose technical risk or are located in regions with surface restrictions including sensitive habitats and dense populations. In the first stage, 129 CO 2 storage sites in California were identified using qualification criteria based upon formation properties including geological conditions and pore pressure. The second stage identified sensitive sites by applying conservative screens including seismic activity, faulting, population density, restricted lands, and sensitive habitats. During the third stage, 61 CO 2 potential storage sites were identified by subtraction of stage 2 areas from stage 1. The potential storage volume in the third stage ranged from 1.0 to 2.0 GtCO 2 . Finally, we applied a scoring system with seven parameters to rank the 61 potential sites based on subsurface technical criteria. The scored sites are classified as high priority, medium priority, and sites for future study. Prospective CO 2 storage sites with high and moderate priority were selected and linked to CO 2 sources. There are 14 prospective sites (above 20 MtCO 2 storage resource per site) with a total storage resource of 1024 MtCO 2 distributed in Northern and Southern California. Of these sites, there are 9 potential CO 2 -EOR sites and 1 depleted oil field with a total estimated CO 2 storage volume of ~800 MtCO 2 in the Southern San Joaquin and Ventura Basin. These 10 prospective sites with a storage resource greater than 20 MtCO 2 could potentially deliver more than 20 years of storage with an average injection rate of 40 MtCO 2 /year. The remaining 4 highly prospective sites are in Northern California. Additionally, study results suggest that saline formations should be re-evaluated in concert with storage in oil, gas, and natural gas storage reservoirs.

58 GEOSCIENCES↗
NASA NTRS1993

Fault handling schemes in electronic systems with specific application to radiation tolerance and VLSI design

Naturally occurring space radiation particles can produce transient and permanent changes in the electrical properties of electronic devices and systems. In this work, the transient radiation effects on DRAM and CMOS SRAM were considered. In addition, the effect of total ionizing dose radiation of the switching times of CMOS logic gates were investigated. Effects of transient radiation on the column and cell of MOS dynamic memory cell was simulated using SPICE. It was found that the critical charge of the bitline was higher than that of the cell. In addition, the critical charge of the combined cell-bitline was found to be dependent on the gate voltage of the access transistor. In addition, the effect of total ionizing dose radiation on the switching times of CMOS logic gate was obtained. The results of this work indicate that, the rise time of CMOS logic gates increases, while the fall time decreases with an increase in total ionizing dose radiation. Also, by increasing the size of the P-channel transistor with respect to that of the N-channel transistor, the propagation delay of CMOS logic gate can be made to decrease with, or be independent of an increase in total ionizing dose radiation. Furthermore, a method was developed for replacing polysilicon feedback resistance of SRAMs with a switched capacitor network. A switched capacitor SRAM was implemented using MOS Technology. The critical change of the switched capacitor SRAM has a very large critical charge. The results of this work indicate that switched capacitor SRAM is a viable alternative to SRAM with polysilicon feedback resistance.

Attia, John Okyere↗
DOE OSTI2021

An in situ ambient and cryogenic transmission electron microscopy study of the effects of temperature on dislocation behavior in CrCoNi-based high-entropy alloys with low stacking-fault energy

Temperature is known to affect deformation mechanisms in metallic alloys. As temperature decreases, the stacking-fault energy in many face-centered cubic (fcc) alloys decreases, resulting in a change of deformation mode from dislocation slip to deformation twinning. Such an impact of temperature can be more complex in compositionally heterogeneous microstructures that exhibit, for example, local concentration fluctuation such as that in multi-principal element alloys. In this work, we compare the dislocation behavior and mechanical properties of a fcc Cr 20 Mn 10 Fe 30 Co 30 Ni 10 high-entropy alloy at ambient and liquid-nitrogen temperatures. We find that a network of stacking faults is formed by uniformly extended dislocations at ambient temperatures with low stacking-fault energy, whereas at lower temperatures, uneven dissociation of dislocations becomes significant, which results in severe dislocation pile-ups together with their pronounced entanglement. Our findings indicate that as the stacking-fault energy decreases with decreasing temperature, the heterogeneity of the distribution of elements becomes more dominant in tuning the local variation of lattice resistance. As a result, the change in dislocation behavior at low temperatures strongly affects microstructural evolution and consequently leads to significantly more pronounced work hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomically Resolved Electrically Active Intragrain Interfaces in Perovskite Semiconductors

Deciphering the atomic and electronic structures of interfaces is key to developing state-of-the-art perovskite semiconductors. However, conventional characterization techniques have limited previous studies mainly to grain-boundary interfaces, whereas the intragrain-interface microstructures and their electronic properties have been much less revealed. Herein using scanning transmission electron microscopy, we resolved the atomic-scale structural information on three prototypical intragrain interfaces, unraveling intriguing features clearly different from those from previous observations based on standalone films or nanomaterial samples. These intragrain interfaces include composition boundaries formed by heterogeneous ion distribution, stacking faults resulted from wrongly stacked crystal planes, and symmetrical twinning boundaries. The atomic-scale imaging of these intragrain interfaces enables us to build unequivocal models for the ab initio calculation of electronic properties. Our results suggest that these structure interfaces are generally electronically benign, whereas their dynamic interaction with point defects can still evoke detrimental effects. This work paves the way toward a more complete fundamental understanding of the microscopic structure-property-performance relationship in metal halide perovskites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Single-Particle Studies Reveal a Nanoscale Mechanism for Elastic, Bright, and Repeatable ZnS:Mn Mechanoluminescence in a Low-Pressure Regime

Mechanoluminescent materials, which emit light in response to elastic deformation, are demanded for use as in situ stress sensors. ZnS doped with Mn is known to exhibit one of the lowest reported thresholds for appearance of mechanoluminescence, with repeatable light emission under contact pressure <10 MPa. Here, the physical basis for such behavior remains as yet unclear. Here, reliable microscopic detection of mechanoluminescence of single ZnS:Mn microparticles, in combination with nanoscale structural characterization, provides evidence that the mechanoluminescent properties of these particles result from interplay between a non-centrosymmetric crystal lattice and its defects, viz., dislocations and stacking faults. Statistical analysis of the distributions of mechanoluminescence energy release trajectories reveals two distinct mechanisms of excitation: one attributable to a piezo-phototronic effect and the other due to dislocation motion. At pressures below 8.1 MPa, both mechanisms contribute to mechanoluminescent output, with a dominant contribution from the piezo-phototronic mechanism. In contrast, above 8.1 MPa, dislocation motion is the primary excitation source. For the piezo-phototronic mechanism, we propose a specific model that accounts for elastic ZnS:Mn mechanoluminescence under very low pressure. The charged interfaces in stacking faults lead to the presence of filled traps, which otherwise would be empty in the absence of the built-in electric field. Upon application of external stress, local enhancement of the piezoelectric field at the stacking faults’ interfaces facilitates release of the trapped carriers and subsequent luminescence. This field enhancement explains how <10 MPa pressure produces thousands of photons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Improving Subsurface Stress Characterization for Carbon Dioxide Storage Projects

Researchers at New Mexico Tech, Los Alamos National Laboratory (LANL), Sandia National Laboratory (SNL), and other collaborators are developing a methodology to improve characterization of stress in the subsurface by means of a model-based inversion of reservoir engineering data, time lapse seismic measurements, and microseismicity. Historically, various geophysical techniques have been used in efforts to understand the state of stress in the subsurface through direct and indirect imaging of stress sensitive features (faults and fractures) and observations of transient stress related observations (time variant elastic moduli and microseismicity). Standard direct and indirect techniques for seismic fault and fracture imaging suffer from detectability limits due to reliance on high data quality and multiplicity. Variations in effective elastic properties from inversion of high quality seismic (Vertical Seismic Profile (VSP)) data may be used to infer stress near the wellbore through integration with independent experimental characterization of the stress-velocity relationship. Given a sufficiently robust observation network, microseismic emissions may be inverted to characterize focal mechanisms which, together with supporting assumptions and constraints, inform estimates of in-situ stress. While each of these techniques contributes in part to the characterization of stress within limited spatial and temporal domains, no one method provides an unambiguous stress measurement or a predictive capability over a site scale spatial extent. Challenges associated with solution non-uniqueness, measurement ambiguity, and irregular sampling may be greatly minimized through combination of one or more of independent measurements within a common framework in which realistic geological, hydrodynamic, geomechanical, and seismological constituent process models may act as constraints.

02 PETROLEUM↗
DOE OSTI2023

Toward Global Regional Seismic Moment Tensor Inversion with Three-Dimensional Earth Models for Nuclear Explosion Monitoring with Sparse Networks: Demonstration of Reciprocity for Strain Greens Tensor Database Simulation with Salvus

Seismic source characterization is an essential function of global nuclear explosion monitoring (NEM). While large events (roughly with moment magnitude, M w , greater than 5.0) can often be easily detected, located and identified with high signal-to-noise ratios at teleseismic distances (> 20°), trends in NEM research require confident source characterization at much lower magnitudes (say down to 3.0) and exploitation of sparse observations (from only a few stations) at regional distance (< 20°). Regional distance waveform inversion to characterize sources is now widely used and effective (e.g. Ford et al., 2009; Alvizuri and Tape, 2018; Alvizuri et al., 2018; Chiang et al., 2018; Ford et al., 2022). These methods obtain the magnitude, depth and seismic moment tensor, which represents the forces that excited the observed seismic waves (slip on an earthquake fault, explosion, collapse or a combination of various forces). Common to many problems in seismology, the isolation of the source 2 properties requires removal of path propagation effects that waves experience while traveling through the three-dimensional (3D) Earth (the structure exists due to different rock types, material properties, temperature and tectonic processes).

58 GEOSCIENCES↗
NASA NTRS1991

Verification of the FtCayuga fault-tolerant microprocessor system. Volume 1: A case study in theorem prover-based verification

The design and formal verification of a hardware system for a task that is an important component of a fault tolerant computer architecture for flight control systems is presented. The hardware system implements an algorithm for obtaining interactive consistancy (byzantine agreement) among four microprocessors as a special instruction on the processors. The property verified insures that an execution of the special instruction by the processors correctly accomplishes interactive consistency, provided certain preconditions hold. An assumption is made that the processors execute synchronously. For verification, the authors used a computer aided design hardware design verification tool, Spectool, and the theorem prover, Clio. A major contribution of the work is the demonstration of a significant fault tolerant hardware design that is mechanically verified by a theorem prover.

Srivas, Mandayam↗
DOE OSTI2025

Correction to “Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor”

A typographical error needs to be corrected in the Results section, subsection “2.5. Evaluation of Li + Ion Conduction Properties”, fourth paragraph, where the activation energy barriers derived from PFG-NMR were swapped for components 1 and 2, for both BM-LYC and SS-LYC. The same error should also corrected in the second paragraph of the Discussion section.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Quantum Zeno Monte Carlo for computing observables

The recent development of logical quantum processors marks a pivotal transition from the noisy intermediate-scale quantum (NISQ) era to the fault-tolerant quantum computing (FTQC) era. These devices have the potential to address classically challenging problems with polynomial computational time using quantum properties. However, they remain susceptible to noise, necessitating noise resilient algorithms. We introduce Quantum Zeno Monte Carlo (QZMC), a classical-quantum hybrid algorithm that demonstrates resilience to device noise and Trotter errors while showing polynomial computational cost for a gapped system. QZMC computes static and dynamic properties without requiring initial state overlap or variational parameters, offering reduced quantum circuit depth.

Han, Mancheon [Korea Institute for Advanced Study ↗
DOE OSTI2020

Specifying Calibration of Environmental Sensors

The emergence of the Internet of Things is resulting in an increased ability of devices and systems to share data and is generating increasing interest in integrating sensors into a variety of devices deployed in the built environment. The value of such data is a function of how the data can be used. Data-producing devices and systems that enable valuable use-cases in turn can be seen as more valuable. Lighting systems are particularly interesting platforms for integrated sensors. Both indoor and outdoor lighting devices are becoming more connected, and their location is often ideally suited for hosting environmental sensors that can characterize the properties of indoor or outdoor spaces in ways that support a wide variety of use cases, from improving air quality to supporting fault diagnostics and prediction. The value of environmental-sensor-driven use-cases and the lighting systems that house them is dependent to some degree on sensor accuracy. Environmental sensors utilize a wide variety of sensing techniques or technologies and have varying accuracy. More-accurate, laboratory-grade products or reference standards are often used to characterize, refine, calibrate, adjust, and monitor devices that are deployed, or are intended to be deployed, in physical spaces of interest. Sensors or reference standards need to be calibrated periodically to ensure that their use yields accurate measurements. Calibration needs, however, vary in sophistication, based on user and use-case requirements. This paper provides guidance for evaluating the performance of environmental sensors so as to ensure that they meet user or use-case needs. It describes best practices that have been developed for a) calibrating sensors to ensure some known level of accuracy, and b) determining whether calibration-laboratory accreditation meets user or use-case needs. Excerpts from laboratory scopes of accreditation are shared to reveal the diversity of terminology and format among them. In an effort to aid those who currently have sensors calibrated or who have new or changing needs for sensor calibration, rationale is provided for why a specification might be used to request calibration services that meet specific needs. Commercially available calibration-service providers that are accredited for environmental-sensor calibration are compared and contrasted, and a specification template that might be used for requesting this calibration is presented. The specification template should be tailored to meet each user’s needs. To illustrate, an example set of environmental-sensor test conditions (reflecting the planned usage of the device to be calibrated) is used to develop a customized calibration specification, and commercially available service providers are assessed in terms of their qualifications for calibration to that particular implementation of the specification template.

42 ENGINEERING↗
NASA NTRS1995

An Example of Unsupervised Networks Kohonen's Self-Organizing Feature Map

Kohonen's self-organizing feature map belongs to a class of unsupervised artificial neural network commonly referred to as topographic maps. It serves two purposes, the quantization and dimensionality reduction of date. A short description of its history and its biological context is given. We show that the inherent classification properties of the feature map make it a suitable candidate for solving the classification task in power system areas like load forecasting, fault diagnosis and security assessment.

Kohonen Feature Map↗
DOE OSTI2022

Structural and optical properties of cubic GaN on U-grooved Si (100)

Cubic GaN epitaxy on large-area U-grooved silicon (100) dies is demonstrated by metalorganic chemical vapor deposition, and its structural and optical properties are reported. Scanning electron, atomic force, and transmission electron microscopy studies reveal that cubic GaN shows no discernible threading dislocations and a low stacking fault density of 3.27 ± 0.18 × 10 4 cm –1 . Temperature-dependent photoluminescence studies reveal as-grown cubic GaN band edge emission internal quantum efficiency as 25.6% ± 0.9%. Selective etching of the low-temperature AlN buffer layer, SiO 2 sidewalls, and hexagonal-phase GaN is demonstrated, which increases the cubic GaN band edge emission internal quantum efficiency to 31.6% ± 0.8%. This increase is attributed to the decrease in the radiative recombination lifetime via the removal of defective hexagonal-phase GaN. Altogether, cubic GaN on U-grooved silicon with high structural and optical quality is reported, promising its suitability for next-generation devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chromium enhances the mechanical performance of 3d transition metal high entropy alloys

A comprehensive examination of the compositional effects on the deformation behavior of high entropy alloys (HEAs) was conducted through nanoindentation, indentation creep, and stress relaxation experiments at ambient temperature. The alloys investigated included NiCoFe, NiCoCr, NiCoCrFe, and NiCoCrFeMn, all of which underwent identical thermomechanical processing. From the experimental results, NiCoCr exhibited the highest maximum shear stress for dislocation nucleation (13 GPa) and nanoindentation hardness (3.8 GPa) among the alloys tested. It also showed the lowest stress sensitivity (0.02) and activation volume (3–4 b 3 ) under creep and stress relaxation conditions, indicative of its superior plastic flow properties. Density functional theory (DFT) calculations further revealed an uneven charge density and larger bonding-length variation in NiCoCr due to the presence of Cr, which increased lattice distortion, impeding dislocation movement. Furthermore, in this study, post-deformation microscopy using transmission electron microscopy (TEM) revealed a high density of stacking faults and twins in NiCoCr that effectively enhanced its creep strength. The results highlight the significance of specific elemental effects, particularly from Cr in this study, over configurational entropy effect (i.e., compositional complexity) in governing the deformation microstructure and mechanical properties of HEAs. Finally, these insights will be instrumental for the design and optimization of advanced alloys for load-bearing applications.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Enhancing detection of topological order by local error correction

The exploration of topologically-ordered states of matter is a long-standing goal at the interface of several subfields of the physical sciences. Such states feature intriguing physical properties such as long-range entanglement, emergent gauge fields and non-local correlations, and can aid in realization of scalable fault-tolerant quantum computation. However, these same features also make creation, detection, and characterization of topologically-ordered states particularly challenging. Motivated by recent experimental demonstrations, we introduce a paradigm for quantifying topological states—locally error-corrected decoration (LED)—by combining methods of error correction with ideas of renormalization-group flow. Our approach allows for efficient and robust identification of topological order, and is applicable in the presence of incoherent noise sources, making it particularly suitable for realistic experiments. We demonstrate the power of LED using numerical simulations of the toric code under a variety of perturbations. We subsequently apply it to an experimental realization, providing new insights into a quantum spin liquid created on a Rydberg-atom simulator. Finally, we extend LED to generic topological phases, including those with non-abelian order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1970

A study of passive microwave techniques applied to geologic problems

Passive microwave techniques were applied to geologic problems, in order to establish the microwave properties of representative rocks and minerals, and to examine the feasibility of using microwave radiometry for geologic mapping problems. A review of microwave pertaining to geology was conducted, coupled with laboratory and field investigations of the microwave emission characteristics of various geologic features. The laboratory studies consisted of dielectric constant measurements of rocks and minerals. A majority of field investigations conducted in the western United States, involved the microwave emission charateristics of rock types, and a portion of the study was concerned with microwave properties of mineralized areas. Experiments were also conducted in the vicinity of a coal seam fire in Colorado and across the San Andreas Fault Zone near the Salton Sea, in Southern California.

Edgerton, A. T.↗