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At least 235 records · Page 13

All sources NASA NTRS DOE OSTI

DOE OSTI2017

Identification of Uranium Minerals in Natural U-Bearing Rocks Using Infrared Reflectance Spectroscopy

The identification of minerals, including uranium-bearing minerals, is traditionally a labor-intensive-process using x-ray diffraction (XRD), fluorescence, or other solid-phase and wet chemical techniques. While handheld XRD and fluorescence instruments can aid in field identification, handheld infrared reflectance spectrometers can also be used in industrial or field environments, with rapid, non-destructive identification possible via spectral analysis of the solid’s reflectance spectrum. We have recently developed standard laboratory measurement methods for the infrared (IR) reflectance of solids and have investigated using these techniques for the identification of uranium-bearing minerals, using XRD methods for ground-truth. Due to the rich colors of such species, including distinctive spectroscopic signatures in the infrared, identification is facile and specific, both for samples that are pure or are partially composed of uranium (e.g. boltwoodite, schoepite, tyuyamunite, carnotite, etc.) or non-uranium minerals. The method can be used to detect not only pure and partial minerals, but is quite sensitive to chemical change such as hydration (e.g. schoepite). We have further applied statistical methods, in particular classical least squares (CLS) and multivariate curve resolution (MCR) for discrimination of such uranium minerals and two uranium pure chemicals (U3O8 and UO2) against common background materials (e.g. silica sand, asphalt, calcite, K-feldspar) with good success. Each mineral contains unique infrared spectral features; some of the IR features are similar or common to entire classes of minerals, typically arising from similar chemical moieties or functional groups in the minerals: phosphates, sulfates, carbonates, etc. These characteristic 2 infrared bands generate the unique (or class-specific) bands that distinguish the mineral from the interferents or backgrounds. We have observed several cases where the chemical moieties that provide the spectral discrimination in the longwave IR do so by generating upward-going reststrahlen bands in the reflectance data, but the same minerals have other weaker (overtone) bands, sometimes from the same chemical groups, that are manifest as downward-going transmission-type features in the midwave and shortwave infrared.

Beiswenger, Toya N.↗

DOE OSTI2023

Vectorization of Dynamic Subgraphs via Generative Models (Final Report)

An important class of data analysis tasks stem from comparing subsets of connected records within massive sets of complex relational data. A common approach is to represent each set of connected records with a small graph, or set of data entities (graph vertices) and their relationships (graph edges), and efficient methods to gauge similarity for pairs of graphs are of high interest. This project concentrated on dynamic graphs, where each edge record has an associated timestamp denoting the time of observation. Pre-existing techniques for comparing dynamic graphs concentrate on either computing graph edit distance (number of vertex and edge deletion, addition, and timestamp modifications) or vectorizing the graph with counts of a limited set of dynamic graph motifs (tiny fundamental subgraphs) and computing distances between the vectors. These approaches are less able to see similarities in graphs that are fairly different in size but come from identical graph generation processes. The motif counting approach can be improved for graphs from the same process, but suffers from requiring many types of motifs meaning it is expensive. Moreover, many motifs are not present for small graphs, meaning realizing a a much larger graph came from the same process is difficult.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Lepidopteran mevalonate pathway optimization in Escherichia coli efficiently produces isoprenol analogs for next-generation biofuels

Terpenes constitute the largest class of natural products with over 55,000 compounds with versatile applications including drugs and biofuels. Introducing structural modifications to terpenes through metabolic engineering is an efficient and sustainable way to improve their properties. Here, in this study, we report the optimization of the lepidopteran mevalonate (LMVA) pathway towards the efficient production of isopentenyl pyrophosphate (IPP) analogs as terpene precursors. First, we linked the LMVA pathway to NudB, a promiscuous phosphatase, resulting in the production of the six-carbon analog of 3-methyl-3-buten-1-ol (isoprenol), 3-ethyl-3-buten-1-ol (C6-isoprenol). Using C6-isoprenol as the final product, we then engineered the LMVA pathway by redirecting its upstream portion from a thiolase-dependent pathway to a beta-oxidation pathway. The beta-oxidation LMVA pathway transforms valeric acid, a platform chemical that can be produced from biomass, into C6-isoprenol at a titer of 110.3 mg/L, improved from 5.5 mg/L by the thiolase LMVA pathway, which used propionic acid as a feedstock. Knockout of the E. coli endogenous thiolase genes further improved the C6-isoprenol titer to 390 mg/L, implying efficient production of homo isopentenyl pyrophosphate (HIPP). The beta-oxidation LMVA-NudB pathway also converts butanoic acid and hexanoic acid into isoprenol and isoprenol’s seven-carbon analog, 3-propyl-3-buten-1-ol (C7-isoprenol), respectively, suggesting the beta-oxidation LMVA pathway produces IPP and C7-IPP from the corresponding fatty acids. Fuel property tests revealed the longer chain isoprenol analogs have lower water solubilities, similar or higher energy densities, and comparable research octane number (RON) boosting effects to isopentenols. This work not only optimizes the LMVA pathway, setting the basis for homoterpene biosynthesis to expand terpene chemical space, but provides an efficient pathway to produce isoprenol analogs as next-generation biofuels from sustainable feedstocks.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Laser Wakefield Accelerator modelling with Variational Neural Networks

A machine learning model was created to predict the electron spectrum generated by a GeV-class laser wakefield accelerator. The model was constructed from variational convolutional neural networks, which mapped the results of secondary laser and plasma diagnostics to the generated electron spectrum. An ensemble of trained networks was used to predict the electron spectrum and to provide an estimation of the uncertainty of that prediction. It is anticipated that this approach will be useful for inferring the electron spectrum prior to undergoing any process that can alter or destroy the beam. In addition, the model provides insight into the scaling of electron beam properties due to stochastic fluctuations in the laser energy and plasma electron density.

43 PARTICLE ACCELERATORS↗

NASA NTRS1992

Vorticity generation by contoured wall injectors

A class of contoured wall fuel injectors was designed to enable shock-enhancement of hypervelocity mixing for supersonic combustion ramjet applications. Previous studies of these geometries left unresolved questions concerning the relative importance of various axial vorticity sources in mixing the injectant with the freestream. The present study is a numerical simulation of two generic fuel injectors which is aimed at elucidating the relative roles of axial vorticity sources including: baroclinic torque through shock-impingement, cross-stream shear, turning of boundary layer vorticity, shock curvature, and diffusive flux. Both the magnitude of the circulation, and the location of vorticity with respect to the mixing interface were considered. Baroclinic torque and cross-stream shear were found to be most important in convectively mixing the injectant with the freestream, with the former providing for deposition of vorticity directly on the fuel/air interface.

Waitz, Ian A.↗

NASA NTRS2005

Automatic Certification of Kalman Filters for Reliable Code Generation

AUTOFILTER is a tool for automatically deriving Kalman filter code from high-level declarative specifications of state estimation problems. It can generate code with a range of algorithmic characteristics and for several target platforms. The tool has been designed with reliability of the generated code in mind and is able to automatically certify that the code it generates is free from various error classes. Since documentation is an important part of software assurance, AUTOFILTER can also automatically generate various human-readable documents, containing both design and safety related information. We discuss how these features address software assurance standards such as DO-178B.

Denney, Ewen↗

DOE OSTI2018

Study of tunable narrow-band THz and high-intensity channeling radiation sources with a 50 MeV class photo-injector

This thesis describes the generation of frequency tunable narrow-band THz radiation and energy tunable quasi-monochromatic hard X-rays using a 50 MeV class photoinjector. We produce micro-bunched beams using a slit-mask and a chicane and then generate THz radiation by sending them to a metallic foil or passing through a small wiggler. As for hard-X-ray generation, we employ channeling radiation (CR) which can emit quasi-monochromatic hard X-rays with a single crystal and an electron beam with an energy of below 100 MeV. We performed each demonstration experiment to verify the theory and simulations at the FAST (Fermi Accelerator Science and Technology) facility in Fermilab. The results of the experiments on the micro-bunching were in agreement with those of the theory and simulations. On the other hand, the expected energy spectrum could not be obtained due to the pile-up of the detectors. We performed particle tracking simulations with Geant4 and identified that the X-ray detectors measured bremsstrahlung radiated from beam pipe caused by the dark currents from the photo cathode, and also detected the characteristic X-rays of lead around the detectors emitted by the bremsstrahlung. In this thesis, the details on the theory, the simulation results, the experiment results of THz/CR are described, and the suggestions for the next experiments through the considerations are also shown.

43 PARTICLE ACCELERATORS↗

NASA NTRS2012

Directed Design of Experiments for Validating Probability of Detection Capability of a Testing System

A method of validating a probability of detection (POD) testing system using directed design of experiments (DOE) includes recording an input data set of observed hit and miss or analog data for sample components as a function of size of a flaw in the components. The method also includes processing the input data set to generate an output data set having an optimal class width, assigning a case number to the output data set, and generating validation instructions based on the assigned case number. An apparatus includes a host machine for receiving the input data set from the testing system and an algorithm for executing DOE to validate the test system. The algorithm applies DOE to the input data set to determine a data set having an optimal class width, assigns a case number to that data set, and generates validation instructions based on the case number.

Generazio, Edward R.↗

NASA NTRS1983

Conical similarity of shock/boundary layer interactions generated by swept fins

A parametric experimental study has been made of the class of 3D shock wave/turbulent boundary layer interactions generated by swept-leading-edge fins. The fin sweepback angles ranged from 0 to 65 deg at angles of attack of 5, 9, and 15 deg. Two equilibrium 2D turbulent boundary layers with a free-stream Mach number of 2.95 and a Reynolds number of 6.3 x 10 to the 7th/m were used as incoming flow conditions. All the resulting interactions were found to possess conical symmetry of surface pressures and skin friction lines beyond an initial inception zone. Further, these interactions revealed a simple similarity based on inviscid shock strength irrespective of fin sweepback or angle of attack.

Lu, F. K.↗

DOE OSTI2024

Denoising diffusion probabilistic models for generative alloy design

Inverse material design is an extremely challenging optimization task made difficult by, in part, the highly nonlinear relationship linking performance with composition. Quantitative approaches have improved significantly owing to advances in high throughput experimentation and computational thermodynamics. However, existing physics-based tools are mostly forward models; input a chemistry and obtain a prediction. More recently the materials community has leveraged advances in the machine learning community to establish novel inverse design frameworks. Very recently denoising diffusion probabilistic models have been shown to be extremely powerful generators producing synthetic data of various modalities e.g. images, text, audio, tables, etc.. In this work a novel framework for alloy design and optimization is proposed leveraging these class of models. Five key generative tasks are demonstrated (1) unconditional generation (2) composition conditioned generation (3) property conditioned generation (4) multi-feedstock conditioned generation and (5) generative optimization. These methods were tested on three case studies: high entropy alloy design, superalloy binder jet additive manufacturing, and in-situ dual-feedstock wire-arc additive manufacturing. Results indicate that the established models are extremely flexible, expressive, and robust. The architecture’s flexibility and training procedure empower the model to learn complex intra-compositional and composition-property relationships. Furthermore, the probabilistic nature of these models makes them well suited for addressing solution non-uniqueness and tackling uncertainty quantification tasks. While the fidelity and quantity of the underlying training data is paramount, we envision that future alloy design frameworks will make extensive use of these kinds of machine learning models as “search” tools bolstering the utility of experimental and computational approaches.

36 MATERIALS SCIENCE↗

NASA NTRS2009

Wireless Avionics Packet to Support Fault Tolerance for Flight Applications

In this protocol and packet format, data traffic is monitored by all network interfaces to determine the health of transmitter and subsystems. When failures are detected, the network inter face applies its recover y policies to provide continued service despite the presence of faults. The protocol, packet format, and inter face are independent of the data link technology used. The current demonstration system supports both commercial off-the-shelf wireless connections and wired Ethernet connections. Other technologies such as 1553 or serial data links can be used for the network backbone. The Wireless Avionics packet is divided into three parts: a header, a data payload, and a checksum. The header has the following components: magic number, version, quality of service, time to live, sending transceiver, function code, payload length, source Application Data Interface (ADI) address, destination ADI address, sending node address, target node address, and a sequence number. The magic number is used to identify WAV packets, and allows the packet format to be updated in the future. The quality of service field allows routing decisions to be made based on this value and can be used to route critical management data over a dedicated channel. The time to live value is used to discard misrouted packets while the source transceiver is updated at each hop. This information is used to monitor the health of each transceiver in the network. To identify the packet type, the function code is used. Besides having a regular data packet, the system supports diagnostic packets for fault detection and isolation. The payload length specifies the number of data bytes in the payload, and this supports variable-length packets in the network. The source ADI is the address of the originating interface. This can be used by the destination application to identify the originating source of the packet where the address consists of a subnet, subsystem class within the subnet, a subsystem unit, and the local ADI number. The destination ADI is used to route the packet to its ultimate destination. At each hop, the sending interface uses the destination address to determine the next node for the data. The sending node is the node address of the interface that is broadcasting the packet. This field is used to determine the health of the subsystem that is sending the packet. In the case of a packet that traverses several intermediate nodes, it may be the node address of the intermediate node. The target node is the node address of the next hop for the packet. It may be an intermediate node, or the final destination for the packet. The sequence number is used to identify duplicate packets. Because each interface has multiple transceivers, the same packet will appear at both receivers. The sequence number allows the interface to correlate the reception and forward a single, unique packet for additional processing. The subnet field allows data traffic to be partitioned into segregated local networks to support large networks while keeping each subnet at a manageable size. This also keeps the routing table small enough so routing can be done by a simple table lookup in an FPGA device. The subsystem class identifies members of a set of redundant subsystems, and, in a hot standby configuration, all members of the subsystem class will receive the data packets. Only the active subsystem will generate data traffic. Specific units in a class of redundant units can be identified and, if the hot standby configuration is not used, packets will be directed to a specific subsystem unit.

Block, Gary L.↗

NASA NTRS1991

GRID3D-v2: An updated version of the GRID2D/3D computer program for generating grid systems in complex-shaped three-dimensional spatial domains

In order to generate good quality systems for complicated three-dimensional spatial domains, the grid-generation method used must be able to exert rather precise controls over grid-point distributions. Several techniques are presented that enhance control of grid-point distribution for a class of algebraic grid-generation methods known as the two-, four-, and six-boundary methods. These techniques include variable stretching functions from bilinear interpolation, interpolating functions based on tension splines, and normalized K-factors. The techniques developed in this study were incorporated into a new version of GRID3D called GRID3D-v2. The usefulness of GRID3D-v2 was demonstrated by using it to generate a three-dimensional grid system in the coolent passage of a radial turbine blade with serpentine channels and pin fins.

Steinthorsson, E.↗

DOE OSTI2016

Generation of topologically diverse acoustic vortex beams using a compact metamaterial aperture

Here, we present a class of metamaterial-based acoustic vortex generators which are both geometrically simple and broadly tunable. The aperture overcomes the significant limitations of both active phasing systems and existing passive coded apertures. The metamaterial approach generates topologically diverse acoustic vortex waves motivated by recent advances in leaky wave antennas by wrapping the antenna back upon itself to produce an acoustic vortex wave antenna. We demonstrate both experimentally and analytically that this single analog structure is capable of creating multiple orthogonal orbital angular momentum modes using only a single transducer. The metamaterial design makes the aperture compact, with a diameter nearly equal to the excitation wavelength and can thus be easily integrated into high-density systems. Applications range from acoustic communications for high bit-rate multiplexing to biomedical devices such as microfluidic mixers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1987

Throughput analysis of the IEEE 802.4 token bus standard under heavy load

It has become clear in the last few years that there is a trend towards integrated digital services. Parallel to the development of public Integrated Services Digital Network (ISDN) is service integration in the local area (e.g., a campus, a building, an aircraft). The types of services to be integrated depend very much on the specific local environment. However, applications tend to generate data traffic belonging to one of two classes. According to IEEE 802.4 terminology, the first major class of traffic is termed synchronous, such as packetized voice and data generated from other applications with real-time constraints, and the second class is called asynchronous which includes most computer data traffic such as file transfer or facsimile. The IEEE 802.4 token bus protocol which was designed to support both synchronous and asynchronous traffic is examined. The protocol is basically a timer-controlled token bus access scheme. By a suitable choice of the design parameters, it can be shown that access delay is bounded for synchronous traffic. As well, the bandwidth allocated to asynchronous traffic can be controlled. A throughput analysis of the protocol under heavy load with constant channel occupation of synchronous traffic and constant token-passing times is presented.

Pang, Joseph↗

DOE OSTI2015

Functional renormalization-group approaches, one-particle (irreducible) reducible with respect to local Green’s functions, with dynamical mean-field theory as a starting point

We consider formulations of the functional renormalization-group (fRG) flow for correlated electronic systems with the dynamical mean-field theory as a starting point. We classify the corresponding renormalization-group schemes into those neglecting one-particle irreducible six-point vertices (with respect to the local Green’s functions) and neglecting one-particle reducible six-point vertices. The former class is represented by the recently introduced DMF{sup 2}RG approach [31], but also by the scale-dependent generalization of the one-particle irreducible representation (with respect to local Green’s functions, 1PI-LGF) of the generating functional [20]. The second class is represented by the fRG flow within the dual fermion approach [16, 32]. We compare formulations of the fRG approach in each of these cases and suggest their further application to study 2D systems within the Hubbard model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2012

Simulated Wake Characteristics Data for Closely Spaced Parallel Runway Operations Analysis

A simulation experiment was performed to generate and compile wake characteristics data relevant to the evaluation and feasibility analysis of closely spaced parallel runway (CSPR) operational concepts. While the experiment in this work is not tailored to any particular operational concept, the generated data applies to the broader class of CSPR concepts, where a trailing aircraft on a CSPR approach is required to stay ahead of the wake vortices generated by a lead aircraft on an adjacent CSPR. Data for wake age, circulation strength, and wake altitude change, at various lateral offset distances from the wake-generating lead aircraft approach path were compiled for a set of nine aircraft spanning the full range of FAA and ICAO wake classifications. A total of 54 scenarios were simulated to generate data related to key parameters that determine wake behavior. Of particular interest are wake age characteristics that can be used to evaluate both time- and distance- based in-trail separation concepts for all aircraft wake-class combinations. A simple first-order difference model was developed to enable the computation of wake parameter estimates for aircraft models having weight, wingspan and speed characteristics similar to those of the nine aircraft modeled in this work.

Guerreiro, Nelson M.↗

DOE OSTI2015

Shape and flow fluctuations in ultracentral Pb + Pb collisions at the energies available at the CERN Large Hadron Collider

In ultracentral heavy-ion collisions, anisotropic hydrodynamic flow is generated by density fluctuations in the initial state rather than by geometric overlap effects. For a given centrality class, the initial fluctuation spectrum is sensitive to the method chosen for binning the events into centrality classes. We show that sorting events by total initial entropy or by total final multiplicity yields event classes with equivalent statistical fluctuation properties, in spite of viscous entropy production during the fireball evolution. With this initial entropy-based centrality definition we generate several classes of ultracentral Pb + Pb collisions at CERN Large Hadron Collider energies and evolve the events using viscous hydrodynamics with nonzero shear but vanishing bulk viscosity. Comparing the predicted anisotropic flow coefficients for charged hadrons with CMS data we find that both the Monte Carlo Glauber (MC-Glb) and Monte Carlo Kharzeev-Levin-Nardi (MC-KLN) models produce initial fluctuation spectra that are incompatible with the measured final anisotropic flow power spectrum, for any choice of the specific shear viscosity. In spite of this failure, we show that the hydrodynamic model can qualitatively explain, in terms of event-by-event fluctuations of the anisotropic flow coefficients and flow angles, the breaking of flow factorization for elliptic, triangular, and quadrangular flow measured by the CMS experiment. For elliptic flow, this factorization breaking is large in ultracentral collisions. Finally, we conclude that the bulk of the experimentally observed flow factorization breaking effects are qualitatively explained by hydrodynamic evolution of initial-state fluctuations, but that their quantitative description requires a better understanding of the initial fluctuation spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Porphyrin Covalent Organic Framework (POF)-Based Interface Engineering for Solar Steam Generation

Through replacement of traditional energy sources with sunlight as the heat source, solar steam generation has emerged as a promising technology for water purification and residuals management. Despite significant efforts to develop efficient photothermal materials for solar steam devices, challenges associated with scalable fabrication of high-performance materials remain. Moreover, most existing methods cannot be easily engineered to produce steam-generating devices with both arbitrary control over shape and high photothermal efficiency. Herein, a flexible porphyrin organic framework (POF)-based interface engineering method is introduced to produce high-performance solar steam generators. POFs, a recently discovered class of materials, are demonstrated to grow readily on a diverse range of porous substrates, including membranes, fabrics, sponges, and wood. Wood@POF exhibits particularly strong performance, achieving approximate to 80% light-to-steam conversion efficiency. This study demonstrates a universal, simple, and scalable interface engineering strategy for the fabrication of solar steam generators based on POF materials.

36 MATERIALS SCIENCE↗