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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Interactions between displacement cascade and dislocation and their influences on Peierls stress in Fe-20Cr-25Ni alloys

The interactions between dislocations and displacement cascades are investigated using molecular dynamics simulations. The primary knock-on atoms (PKAs) are placed at different distances to edge and screw dislocation lines. Specifically, an fcc Fe-20Cr-25Ni system is studied; the alloy is the based alloy for Alloy 709. The number of defects is calculated using Wigner-Seitz analysis in order to illustrate the effect of dislocations on cascades. The displacement cascades in systems containing dislocations tend to generate more total defects compared with bulk systems, but eventually lead to less surviving defects in the materials matrix due to interactions with dislocations. The changes in atomic structures of the dislocations after interacting with cascades are analyzed to understand how the primary damage affects dislocations. The displacement cascade potentially causes dislocation climb in edge dislocations and cross-slip in screw dislocations, which could serve as additional mechanisms contributing to the radiation-induced hardening (RIH) compared with conventional RIH models. To reveal this, Peierls stresses are calculated before and after cascades using molecular static simulations. This study provides critical information of how defect production and dislocations are correlated, especially when total dose is high, which needs to be taken into account in upper scale models, such as mean-field rate theory.

Lu, Zizhe↗
DOE OSTI2019

Edge states in the honeycomb reconstruction of two-dimensional silicon nanosheets

Electrons confined within a two-dimensional (2D) honeycomb potential can host localized electronic states at their edges. These edge states exhibit distinctive electronic properties relative to the bulk, and may result in spin polarization or topologically protected conduction. However, the synthesis and characterization of well-defined 2D structures which host such edge states remains challenging. Here, we confirm the presence of a two-dimensional electron gas (2DEG) and find evidence for unique edge states in the Ag-induced honeycomb surface reconstruction of silicon nanosheets (SiNS) grown on Ag(111). Atomic-scale scanning tunneling microscopy and computational modeling confirm that the electronic properties of the SiNS surface are determined by the honeycomb surface reconstruction. This surface presents ordered edge terminations with distinct spectroscopic signatures associated with the edge orientation, and calculations suggest that Rashba-type spin orbit coupling may result in spin-polarized conduction along certain edge orientations. Furthermore, this quantification of the electronic structure of edge states in SiNS 2DEGs will inform ongoing efforts to engineer quantum effects in silicon-based nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

America’s Cutting Edge CNC machining and metrology training

This paper describes the workforce development activities supported by America’s Cutting Edge (ACE), a national initiative for machine tool technology development and advancement. ACE is supported by the Department of Defense Industrial Base Analysis and Sustainment (IBAS) program from the Office of Industrial Policy. Both the online and in-person components of the computer numerically controlled (CNC) machining and metrology training programs are summarized and participation information is provided.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2014

A high precision, compact electromechanical ground rotation sensor

We present a mechanical rotation sensor consisting of a balance pivoting on a tungsten carbide knife edge. These sensors are important for precision seismic isolation systems, as employed in land-based gravitational wave interferometers and for the new field of rotational seismology. The position sensor used is an air-core linear variable differential transformer with a demonstrated noise floor of 1 × 10{sup −11}m/√( Hz ). We describe the instrument construction and demonstrate low noise operation with a noise floor upper bound of 5.7 × 10{sup −9} rad /√( Hz ) at 10 mHz and 6.4 × 10{sup −10} rad /√( Hz ) at 0.1 Hz. The performance of the knife edge hinge is compatible with a behaviorur free of noise from dislocation self-organized criticality.

42 ENGINEERING↗
NASA NTRS1991

Stray signal requirements for compact range reflectors based on RCS measurement errors

The authors present a performance criterion for compact range reflectors such that their edge diffracted stray signal levels meet a reasonable radar cross section (RCS) measurement error requirement. It is shown by example that one of the significant error sources is the diffracted fields emanating from the edges or junctions of the reflector. This measurement error is demonstrated by placing a diagonal square flat plate in the target zone and rotating it to appropriate angles. These angles are determined by bisecting the plane wave and stray signal directions. This results in a peak bistatic measurement of the edge diffracted stray signal. It is proposed that the diagonal flat plate be used to evaluate new reflector designs as well as existing systems. A reasonable stray signal performance level has been developed so that new reflector systems can be characterized in terms of an RCS measurement error requirement.

Lee, Teh-Hong↗
NASA NTRS1992

Free-edge effects in laminates under extension, bending and twisting. II - Sublaminate/layer modeling and analysis

The stress-function-based variational method of Yin (1991) is extended and modified into a combined layer/sublaminate approach applicable to a laminated strip composed of a large number of differently orientated, anisotropic elastic plies. Lekhnitskii's (1963) stress functions are introduced into two interior layers adjacent to a particular interface. The remaining layers are grouped into an upper sublaminate and a lower sublaminate. The stress functions are expanded in truncated power series of the thickness coordinate, and the differential equations governing the coefficient functions are derived by using the complementary virtual work principle. The layer/sublaminate approach limits the dimension of the eigenvalue problem to a fixed number irrespective of the number of layers in the sublaminate, so that reasonably accurate solutions of the interlaminar stresses can be computed with extreme ease. For symmetric, four-layer, angle-ply and cross-ply laminates, a comparison of the previous analysis results based on the pure layer model and new results based on two different layer/sublaminate models indicates reasonable over-all agreement in the interlaminar stresses and superior agreement in the total peeling and shearing force.

Yin, Wan-Lee↗
NASA NTRS2002

Microelectromechanical Systems (MEMS) Actuator-Based, Polarization Reconfigurable Patch Antenna Demonstrated

A nearly square patch antenna with a contact actuator along a radiating edge for polarization reconfiguration was demonstrated at Ka-band frequencies at the NASA Glenn Research Center. The layout of the antenna is shown in the following sketch. This antenna has the following advantages: 1) It can be dynamically reconfigured to receive and transmit a linearly polarized signal or a circularly polarized signal. This feature allows the substitution of multiple antennas on a satellite by a single antenna, thereby resulting in significant cost savings. 2) In our approach, the polarization is switched between the two states without affecting the frequency of operation; thus, valuable frequency spectrum is conserved. 3) The ability to switch polarization also helps mitigate propagation effects due to adverse weather on the performance of a satellite-to-ground link. Hence, polarization reconfigurability enhances link reliability.

Simons, Rainee N.↗
NASA NTRS2019

Assessment of Airframe Noise Reduction Technologies Based on EPNL from Flight Tests

The acoustic performance of various airframe noise reduction technologies – Adaptive Compliant Trailing Edge flap, main landing gear fairings, and gear cavity treatments – was determined, individually and in combination, using the Effective Perceived Noise Level metric. These noise measurements and calculations closely follow the Federal Aviation Administration aircraft noise certification standards, specifically for the approach noise measurement point. The flyover data correspond to pole-mounted, single-microphone measurements obtained during a series of flight tests, conducted under the NASA Flight Demonstrations and Capabilities project, that evaluated flap and landing gear noise reduction technologies. To minimize contributions from the propulsion system, the aircraft was flown along the approach path with engine thrust set at ground idle. Although contamination from engine, background, and secondary airframe noise sources partially masked the true performance of the tested technologies, the resulting acoustic data clearly showed substantial noise reductions relative to baseline levels. The acoustic benefits measured by the single microphones are consistent with previously reported trends in acoustic levels obtained from phased microphone array data.

Ravetta, Patricio A.↗
DOE OSTI2016

Near-edge x-ray absorption fine structure spectroscopy at atmospheric pressure with a table-top laser-induced soft x-ray source

The authors present a table-top soft x-ray absorption spectrometer, accomplishing investigations of the near-edge x-ray absorption fine structure (NEXAFS) in a laboratory environment. The system is based on a low debris plasma ignited by a picosecond laser in a pulsed krypton gas jet, emitting soft x-ray radiation in the range from 1 to 5 nm. For absorption spectroscopy in and around the “water window” (2.3–4.4 nm), a compact helium purged sample compartment for experiments at atmospheric pressure has been constructed and tested. NEXAFS measurements on CaCl{sub 2} and KMnO{sub 4} samples were conducted at the calcium and manganese L-edges, as well as at the oxygen K-edge in air, atmospheric helium, and under vacuum, respectively. The results indicate the importance of atmospheric conditions for an investigation of sample hydration processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Tailoring graphene magnetism by zigzag triangular holes: A first-principles thermodynamics study

In this study, we discuss the thermodynamic stability and magnetic property of zigzag triangular holes (ZTHs) in graphene based on the results of first-principles density functional theory calculations. We find that ZTHs with hydrogen-passivated edges in mixed sp 2 /sp 3 configurations (z 211 ) could be readily available at experimental thermodynamic conditions, but ZTHs with 100% sp 2 hydrogen-passivation (z 1 ) could be limitedly available at high temperature and ultra-high vacuum conditions. Graphene magnetization near the ZTHs strongly depends on the type and the size of the triangles. While metallic z 1 ZTHs exhibit characteristic edge magnetism due to the same-sublattice engineering, semiconducting z 211 ZTHs do show characteristic corner magnetism when the size is small < 2 nm. Our findings could be useful for experimentally tailoring metal-free carbon magnetism by simply fabricating triangular holes in graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Optical and electrical properties of two-dimensional palladium diselenide

Two-dimensional (2D) noble-metal dichalcogenides exhibit exceptionally strong thickness-dependent bandgaps, which can be leveraged in a wide variety of device applications. A detailed study of their optical (e.g., optical bandgaps) and electrical properties (e.g., mobilities) is important in determining potential future applications of these materials. Here, we perform detailed optical and electrical characterization of 2D PdSe 2 nanoflakes mechanically exfoliated from a single-crystalline source. Layer-dependent bandgap analysis from optical absorption results indicates that this material is an indirect semiconductor with bandgaps of approximately 1.37 and 0.50 eV for the monolayer and bulk, respectively. Spectral photoresponse measurements further confirm these bandgap values. Moreover, temperature-dependent electrical measurements of a 6.8-nm-thick PdSe 2 flake-based transistor show effective electron mobilities of 130 and 520 cm 2 V –1 s –1 at 300 K and 77 K, respectively. Finally, we demonstrate that PdSe 2 can be utilized for short-wave infrared photodetectors. A room-temperature specific detectivity (D * ) of 1.8 × 10 10 cm Hz 1/2 W –1 at 1 μm with a band edge at 1.94 μm is achieved on a 6.8-nm-thick PdSe 2 flake-based photodetector.

36 MATERIALS SCIENCE↗
DOE OSTI2019

FPGA/ASIC framework and method for requirements-based trust assessment

Described herein are various technologies for metrics-based assessment and trust verification of netlists for hardware logic devices (e.g., ASICs, FPGAs, etc.). A computing system translates a netlist of a hardware logic device into a Boolean network. The computing system generates and assigns metrics to edges of the Boolean network. The metrics comprise a coverage metric, a rare trigger metric, and an influence metric. Based upon the metrics, the computing system assigns the nodes in the Boolean network criticality values. The computing system determines a likelihood of a vulnerability in the netlist based upon the criticality values. The computing can output an indication as to whether the netlist is trusted based upon the determined likelihood of a vulnerability in the netlist.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Implementation of a Hybrid Edge Node-Centroid Node Approach for the Generation of Reduced Thermal Models

Reduced thermal models are often required for delivery to organizations that manage observatory or launch models at the highest levels of assembly. However, the effort to generate reduced models, and verify against their detailed counterparts, is a challenge that has not yet been conclusively solved. Higher level organizations often place a limit on the number of nodes for delivered models with the assumption that smaller models generally result in less computation time. However, the burden of producing and verifying the accuracy of the reduced models is placed primarily on the lower-level organizations, which in turn consumes resources needed to produce these models. Limiting the total number of allowable nodes may also prevent users from taking full advantage of software capabilities that allow for faster generation of models, such as finite elements, which generally require more nodes than older centroid based models. A methodology using Thermal Desktop was described in 2010 which used: (1) finite elements and edge nodes for a conduction matrix, (2) centroid nodes for capacitance and radiative computations, and (3) the super network feature to produce a conduction matrix based only on the centroid nodes. At that time, the methodology was clear, but the implementation would have had to be done manually; however, with the inclusion of the OpenTD API, this methodology can now be implemented programmatically and for the first time, be a viable approach for the generation of reduced models. The approach was implemented and developed at the NASA Goddard Space Flight Center (GSFC) for the Capture, Containment, and Return System (CCRS) payload on the Earth Return Orbiter (ERO) as part of the Mars Sample Return (MSR) mission, resulting in the TCYEE tool. ERO features a spacecraft bus provided by Airbus through the European Space Agency (ESA) with node limitations on the delivered CCRS model provided by GSFC. TCYEE was used to generate the reduced model for this delivery and the predictions compared favorably to the detailed model currently in use for the thermal performance evaluation. Furthermore, TCYEE is being explored for potential use on the Roman Space Telescope (RST) for the generation of reduced models for delivery to the launch provider, which also has node limit requirements on the RST observatory model for use in launch simulation analyses. This paper describes the methodology, its implementation, and compares the performance of reduced models generated by TCYEE to their detailed counterparts.

Thermal desktop↗
NASA NTRSDate not supplied

Implementation of a Hybrid Edge Node-Centroid Node Approach for the Generation of Reduced Thermal Models

Reduced thermal models are often required for delivery to organizations that manage observatory or launch models at the highest levels of assembly. However, the effort to generate reduced models, and verify against their detailed counterparts, is a challenge that has not yet been conclusively solved. Higher level organizations often place a limit on the number of nodes for delivered models with the assumption that smaller models generally result in less computation time. However, the burden of producing and verifying the accuracy of the reduced models is placed primarily on the lower-level organizations, which in turn consumes resources needed to produce these models. Limiting the total number of allowable nodes may also prevent users from taking full advantage of software capabilities that allow for faster generation of models, such as finite elements, which generally require more nodes than older centroid based models. A methodology using Thermal Desktop was described in 2010 which used: (1) finite elements and edge nodes for a conduction matrix, (2) centroid nodes for capacitance and radiative computations, and (3) the super network feature to produce a conduction matrix based only on the centroid nodes. At that time, the methodology was clear, but the implementation would have had to be done manually; however, with the inclusion of the OpenTD Application Programming Interface, this methodology can now be implemented programmatically and for the first time, be a viable approach for the generation of reduced models. The approach was implemented and developed at the NASA Goddard Space Flight Center (GSFC) for the Capture, Containment, and Return System (CCRS) payload on the Earth Return Orbiter (ERO) as part of the Mars Sample Return mission, resulting in the TCYEE tool. ERO features a spacecraft bus provided by Airbus through the European Space Agency with node limitations on the delivered CCRS model provided by GSFC. TCYEE was used to generate the reduced model for this delivery and the predictions compared favorably to the detailed model currently in use for the thermal performance evaluation. Furthermore, TCYEE is being explored for potential use on the Roman Space Telescope (RST) for the generation of reduced models for delivery to the launch provider, which also has node limit requirements on the RST observatory model for use in launch simulation analyses. This paper describes the methodology, its implementation, and compares the performance of reduced models generated by TCYEE to their detailed counterparts.

Thermal Desktop↗
NASA NTRS1989

Evaluation of cloud detection instruments and performance of laminar-flow leading-edge test articles during NASA Leading-Edge Flight-Test Program

Summary evaluations of the performance of laminar-flow control (LFC) leading edge test articles on a NASA JetStar aircraft are presented. Statistics, presented for the test articles' performance in haze and cloud situations, as well as in clear air, show a significant effect of cloud particle concentrations on the extent of laminar flow. The cloud particle environment was monitored by two instruments, a cloud particle spectrometer (Knollenberg probe) and a charging patch. Both instruments are evaluated as diagnostic aids for avoiding laminar-flow detrimental particle concentrations in future LFC aircraft operations. The data base covers 19 flights in the simulated airline service phase of the NASA Leading-Edge Flight-Test (LEFT) Program.

Davis, Richard E.↗
DOE OSTI2016

A first-principles study of electronic properties of H and F-terminated zigzag BNC nanoribbons

Nanoribbons are quasi one-dimensional structures which have interesting electronic properties on the basis of their edge geometries, and width. We studied the electronic properties of hydrogen and fluorine-terminated zigzag BNC nanoribbons (BNCNRs) using a first-principles based density functional theory approach. We considered BNCNRs that were composed of an equal number of C-C and B-N dimers; one of the edges ends with an N atom and opposite edge ends with a C atom. These two edge atoms are passivated by H or F atoms. Our results suggest that hydrogen-terminated BNCNRs (H-BNCNRs) and flourine-terminated BNCNRs (F-BNCNRs) have different electronic properties. H-BNCNRs exhibit intrinsic half-metallic behavior while F-BNCNRs are indirect band gap semiconductors. Chemical functionalization of BNCNRs with H and F atoms show that BNCNRs have a diverse range of electronic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Knowledge Oriented Graph Unified Transformer (KOGUT) v0.1

KOGUT — Knowledge Oriented Graph Unified Transformer KOGUT implements the Relational Graph Transformer (RelGT) architecture for knowledge graph link prediction in biological domains, with a primary focus on microbial growth media prediction. While the original RelGT (arXiv:2505.10960) targets relational tables, time series, and multi-table databases, KOGUT adapts this architecture for heterogeneous biological knowledge graphs, providing first-in-class AI predictive models for microbial cultivation. Key Adaptations Beyond Original RelGT: - Knowledge Graph Focus: Applied to biological KGs with semantic node types (taxa, chemicals, media, phenotypes, environments) versus generic relational database tables, trained on the KG-Microbe knowledge graph (1.3M entities, 2.9M edges, 24 relation types). - Multimodal Node Encoding: Integrates node labels, categories, descriptions, and synonyms from KG metadata through learned embedding layers—adapting relational column features to graph node attributes with textual semantics. - Extended K-Hop Subgraph Strategy: Optimized neighborhood sampling (3-hop default, configurable up to 200 nodes) tuned for sparse biological networks, building on the original local-global attention framework with biological relation preservation. - Biolink Predicate Preservation: Type-specific transformations for 24 biological edge semantics (occurs_in, consumes, produces, has_phenotype, subclass_of) beyond standard relational foreign keys, enabling multi-relation link prediction. - Inductive Learning Support: Enables zero-shot predictions for novel taxa through feature-based embeddings (temperature, oxygen requirements, gram stain, cell shape), extending the original transductive relational benchmark scope to uncultured microorganisms. CheapSOTA Performance Optimizations (This Distribution): - VQ-EMA Centroid Attention: Vector quantization with exponential moving average for improved global context modeling (+5-10% MRR improvement). - HDF5 Precomputed Data Loading: One-time preprocessing of k-hop subgraphs to eliminate redundant graph traversals (2-5× training speedup). - Distributed Data Parallel Training: Multi-GPU support for scaling to larger knowledge graphs (tested on 4× NVIDIA A100 GPUs at NERSC Perlmutter). - Mixed Precision Training: Automatic mixed precision (AMP) for memory efficiency and faster training. Advantages Over Standard Knowledge Graph Embedding Models: Combines RelGT's proven multi-element tokenization (features, type, hop, structure) with graph-native biological representations, enabling interpretable link prediction across heterogeneous entities that standard embedding models (TransE, RotatE, ComplEx) and table-based transformers cannot directly model. Achieves near-perfect performance on microbial growth media prediction (MRR: 0.9966, Precision@1: 0.9932, Hit@10: 1.0000) while maintaining explainability through attention-based reasoning over biological pathways. Training Data: - KG-Microbe merged knowledge graph: 1,379,337 nodes, 2,960,472 edges - 24 biological relation types including taxonomic hierarchies, metabolic interactions, phenotype associations, and environmental relationships - Primary prediction task: Growth media suitability for microbial taxa (biolink:occurs_in, 50K edges) - Multi-relation capability: Predicts links for any of the 24 relation types, including chemical consumption/production, phenotype associations, and taxonomic classification Citation: Original RelGT Architecture: Dwivedi et al., "Relational Graph Transformer", arXiv:2505.10960, 2025 KOGUT Implementation: Knowledge Oriented Graph Unified Transformer for Microbial Growth Media Prediction Developed at Lawrence Berkeley National Laboratory (LBNL) Trained on NERSC Perlmutter supercomputer

Joachimiak, Marcin [Lawrence Berkeley National Lab↗