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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 613 records · Page 34

Atomic-scale defects generated in the early/intermediate stages of dielectric breakdown in Si/SiO 2 transistors

In this study, electrically detected magnetic resonance and near-zero-field magnetoresistance measurements were used to study atomic-scale traps generated during high-field gate stressing in Si/SiO 2 MOSFETs. The defects observed are almost certainly important to time-dependent dielectric breakdown. The measurements were made with spin-dependent recombination current involving defects at and near the Si/SiO 2 boundary. The interface traps observed are P b0 and P b1 centers, which are silicon dangling bond defects. The ratio of P b0 /P b1 is dependent on the gate stressing polarity. Electrically detected magnetic resonance measurements also reveal generation of E' oxide defects near the Si/SiO 2 interface. Near-zero-field magnetoresistance measurements made throughout stressing reveal that the local hyperfine environment of the interface traps changes with stressing time; these changes are almost certainly due to the redistribution of hydrogen near the interface.

42 ENGINEERING↗

Reliable vision-guided grasping

Automated assembly of truss structures in space requires vision-guided servoing for grasping a strut when its position and orientation are uncertain. This paper presents a methodology for efficient and robust vision-guided robot grasping alignment. The vision-guided grasping problem is related to vision-guided 'docking' problems. It differs from other hand-in-eye visual servoing problems such as tracking in that the distance from the target is a relevant servo parameter. The methodology described in this paper is a hierarchy of levels in which the vision/robot interface is decreasingly 'intelligent', and increasingly fast. Speed is achieved primarily by information reduction. This reduction exploits the use of region-of-interest windows in the image plane and feature motion prediction. These reductions invariably require stringent assumptions about the image. Therefore, at a higher level, these assumptions are verified using slower, more reliable methods. This hierarchy provides for robust error recovery in that when a lower-level routine fails, the next-higher routine will be called and so on. A working system is described which visually aligns a robot to grasp a cylindrical strut. The system uses a single camera mounted on the end effector of a robot and requires only crude calibration parameters. The grasping procedure is fast and reliable, with a multi-level error recovery system.

Nicewarner, Keith E.↗

First Principles Modeling of Cluster-Based Solid Electrolytes (Final Technical Report)

Given the trend of global warming and the urgent need to transition from fossil fuels to green energy, lithium-ion batteries continue to be an integral part of our lives. Design, development, and understanding of novel solid-state electrolyte materials play the key role for achieving next-generation all-solid-state batteries with high energy and great safety. The current modeling schemes to develop advanced solid electrolytes are focusing on materials in which the building blocks are individual atoms. Our theoretical approach is a paradigm shift in solid-state electrolyte design. Instead of atoms, we focus on clusters as the building blocks and model these solid electrolytes and their interfaces with electrodes, especially Li-metal anode, for their successful implementation in solid-state batteries. The advantage of using the cluster ions to replace elemental ions is that the size, composition, and shape of the former can be tailored to achieve higher ionic conductivity at room temperature, electrochemical stability, and charge transfer across solid-solid interfaces than conventional materials. Specifically, the project includes: (1) Developing cluster-based solid electrolytes, where the halogen components are replaced by cluster ions that mimic the chemistry of halogens but are characterized by additional degrees of freedom, including the size, shape, composition, and motional dynamics under excitation. (2) Providing a fundamental understanding of the ion conduction mechanism in the developed cluster-based solid electrolytes; (3) Modeling the interfacial properties (i.e., structural, chemical, and transport properties) between the cluster-based solid electrolytes and electrodes at the atomic level. For the cluster-based solid electrolytes incompatible with the Li-metal anode or cathode materials, potential candidates for interfacial coatings are identified and studied. (4) Providing a theoretical framework towards optimizing critical parameters of the solid-state electrolytes that guides experimentalists to attain desired cathode-electrode interface for cluster-based solid-state electrolytes.

25 ENERGY STORAGE↗

Joint state-parameter estimation for the reduced fracture model via the united filter

Here, in this paper, we introduce an effective United Filter method for jointly estimating the solution state and physical parameters in flow and transport problems within fractured porous media. Fluid flow and transport in fractured porous media are critical in subsurface hydrology, geophysics, and reservoir geomechanics. Reduced fracture models, which represent fractures as lower-dimensional interfaces, enable efficient multi-scale simulations. However, reduced fracture models also face accuracy challenges due to modeling errors and uncertainties in physical parameters such as permeability and fracture geometry. To address these challenges, we propose a United Filter method, which integrates the Ensemble Score Filter (EnSF) for state estimation with the Direct Filter for parameter estimation. EnSF, based on a score-based diffusion model framework, produces ensemble representations of the state distribution without deep learning. Meanwhile, the Direct Filter, a recursive Bayesian inference method, estimates parameters directly from state observations. The United Filter combines these methods iteratively: EnSF estimates are used to refine parameter values, which are then fed back to improve state estimation. Numerical experiments demonstrate that the United Filter method surpasses the state-of-the-art Augmented Ensemble Kalman Filter, delivering more accurate state and parameter estimation for reduced fracture models. This framework also provides a robust and efficient solution for PDE-constrained inverse problems with uncertainties and sparse observations.

Bayesian inference↗

Coupled Solid Rocket Motor Ballistics and Trajectory Modeling for Higher Fidelity Launch Vehicle Design

Multi-stage launch vehicles with solid rocket motors (SRMs) face design optimization challenges, especially when the mission scope changes frequently. Significant performance benefits can be realized if the solid rocket motors are optimized to the changing requirements. While SRMs represent a fixed performance at launch, rapid design iterations enable flexibility at design time, yielding significant performance gains. The streamlining and integration of SRM design and analysis can be achieved with improved analysis tools. While powerful and versatile, the Solid Performance Program (SPP) is not conducive to rapid design iteration. Performing a design iteration with SPP and a trajectory solver is a labor intensive process. To enable a better workflow, SPP, the Program to Optimize Simulated Trajectories (POST), and the interfaces between them have been improved and automated, and a graphical user interface (GUI) has been developed. The GUI enables real-time visual feedback of grain and nozzle design inputs, enforces parameter dependencies, removes redundancies, and simplifies manipulation of SPP and POST's numerous options. Automating the analysis also simplifies batch analyses and trade studies. Finally, the GUI provides post-processing, visualization, and comparison of results. Wrapping legacy high-fidelity analysis codes with modern software provides the improved interface necessary to enable rapid coupled SRM ballistics and vehicle trajectory analysis. Low cost trade studies demonstrate the sensitivities of flight performance metrics to propulsion characteristics. Incorporating high fidelity analysis from SPP into vehicle design reduces performance margins and improves reliability. By flying an SRM designed with the same assumptions as the rest of the vehicle, accurate comparisons can be made between competing architectures. In summary, this flexible workflow is a critical component to designing a versatile launch vehicle model that can accommodate a volatile mission scope.

Ables, Brett↗

On the shear stabilization of capillary break-up of finite liquid bridges

In this paper we consider an isothermal finite liquid bridge under zero-gravity. A sinusoidal interfacial shear stress drives a nonparallel flow in the bridge. The linear stability of this flow to three-dimensional disturbances (which may deform the cylindrical gas-liquid interface) is determined numerically by solving an elliptic eigenvalue problem. Previous results on shear stabilization of capillary break-up of axially unbounded cylindrical interfaces containing a parallel flow are hereby extended to a nonparallel flow. The turning flow regions influence the stability significantly. However, for the particular cases considered, a small area in parameter space remains where the capillary instability is suppressed through interfacial shear. Second, non-axisymmetric oscillatory instabilities are found which originate from an interaction of the interface deformation and the basic flow. These instabilities may be the isothermal limit of the oscillatory instabilities observed in float-zone crystal growth.

Dijkstra, Henk A.↗

Exploring the Spatial Control of Topotactic Phase Transitions Using Vertically Oriented Epitaxial Interfaces

Engineering oxygen vacancy formation and distribution is a powerful route for controlling the oxygen sublattice evolution that affects diverse functional behavior. The controlling of the oxygen vacancy formation process is particularly important for inducing topotactic phase transitions that occur by transformation of the oxygen sublattice. Here we demonstrate an epitaxial nanocomposite approach for exploring the spatial control of topotactic phase transition from a pristine perovskite phase to an oxygen vacancy-ordered brownmillerite (BM) phase in a model oxide La 0.7 Sr 0.3 MnO 3 (LSMO). Incorporating a minority phase NiO in LSMO films creates ultrahigh density of vertically aligned epitaxial interfaces that strongly influence the oxygen vacancy formation and distribution in LSMO. Combined structural characterizations reveal strong interactions between NiO and LSMO across the epitaxial interfaces leading to a topotactic phase transition in LSMO accompanied by significant morphology evolution in NiO. Using the NiO nominal ratio as a single control parameter, we obtain intermediate topotactic nanostructures with distinct distribution of the transformed LSMO-BM phase, which enables systematic tuning of magnetic and electrical transport properties. The use of self-assembled heterostructure interfaces by the epitaxial nanocomposite platform enables more versatile design of topotactic phase structures and correlated functionalities that are sensitive to oxygen vacancies.

36 MATERIALS SCIENCE↗

GNET2: an R package for constructing gene regulatory networks from transcriptomic data

Abstract Motivation The Gene Network Estimation Tool (GNET) is designed to build gene regulatory networks (GRNs) from transcriptomic gene expression data with a probabilistic graphical model. The data preprocessing, model construction and visualization modules of the original GNET software were developed on different programming platforms, which were inconvenient for users to deploy and use. Results Here, we present GNET2, an improved implementation of GNET as an integrated R package. GNET2 provides more flexibility for parameter initialization and regulatory module construction based on the core iterative modeling process of the original algorithm. The data exchange interface of GNET2 is handled within an R session automatically. Given the growing demand for regulatory network reconstruction from transcriptomic data, GNET2 offers a convenient option for GRN inference on large datasets. Availability and implementation The source code of GNET2 is available at https://github.com/jianlin-cheng/GNET2. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Data for Machado-Silva et al. (2024), "Short-Term Groundwater Level Fluctuations Drive Subsurface Redox Variability"

This dataset contains the analytical data reported in Machado-Silva et al. (2024) as part of the COMPASS-FME project, which seeks to advance a scalable, predictive understanding of the fundamental biogeochemical processes, ecological structure, and ecosystem dynamics that distinguish coastal terrestrial-aquatic interfaces from the purely terrestrial or aquatic systems to which they are coupled. The dataset consists of water quality parameters as well as redox potential, water content, and electrical conductivity. These data were collected in 2022 in Crane Creek (CRC), Portage River (PTR), and Old Woman Creek (OWC). Each of these sites included uplands (UP), transitions (TR), wetland-transition edge (WTE), and wetland (W) zones. The sites represent replicates of the Lake Erie terrestrial-aquatic interface under fluctuating water levels and are located in well-preserved areas with natural or restored marsh and forest cover.This dataset consists of a single data file (Machado_Silva_et_al_2024_EST_data.csv) that is in comma-separated value (CSV) format. No special software is required to read it.This dataset uses the ESS-DIVE Hydrologic Monitoring Reporting Format 1.0.

54 ENVIRONMENTAL SCIENCES↗

Sensitivity Analysis and Optimization of Aerodynamic Configurations with Blend Surfaces

A novel (geometrical) parametrization procedure using solutions to a suitably chosen fourth order partial differential equation is used to define a class of airplane configurations. Inclusive in this definition are surface grids, volume grids, and grid sensitivity. The general airplane configuration has wing, fuselage, vertical tail and horizontal tail. The design variables are incorporated into the boundary conditions, and the solution is expressed as a Fourier series. The fuselage has circular cross section, and the radius is an algebraic function of four design parameters and an independent computational variable. Volume grids are obtained through an application of the Control Point Form method. A graphic interface software is developed which dynamically changes the surface of the airplane configuration with the change in input design variable. The software is made user friendly and is targeted towards the initial conceptual development of any aerodynamic configurations. Grid sensitivity with respect to surface design parameters and aerodynamic sensitivity coefficients based on potential flow is obtained using an Automatic Differentiation precompiler software tool ADIFOR. Aerodynamic shape optimization of the complete aircraft with twenty four design variables is performed. Unstructured and structured volume grids and Euler solutions are obtained with standard software to demonstrate the feasibility of the new surface definition.

Thomas, A. M.↗

Systematic Propulsion Optimization Tools (SPOT)

This paper describes a computer program written by senior-level Mechanical Engineering students at the University of Alabama in Huntsville which is capable of optimizing user-defined delivery systems for carrying payloads into orbit. The custom propulsion system is designed by the user through the input of configuration, payload, and orbital parameters. The primary advantages of the software, called Systematic Propulsion Optimization Tools (SPOT), are a user-friendly interface and a modular FORTRAN 77 code designed for ease of modification. The optimization of variables in an orbital delivery system is of critical concern in the propulsion environment. The mass of the overall system must be minimized within the maximum stress, force, and pressure constraints. SPOT utilizes the Design Optimization Tools (DOT) program for the optimization techniques. The SPOT program is divided into a main program and five modules: aerodynamic losses, orbital parameters, liquid engines, solid engines, and nozzles. The program is designed to be upgraded easily and expanded to meet specific user needs. A user's manual and a programmer's manual are currently being developed to facilitate implementation and modification.

Bower, Mark↗

Analysis of a Bank Control Guidance for Aerocapture at Uranus

We apply the Fully Numerical Predictor-corrector Aerocapture Guidance to capture a vehicle into orbit for a mission at Uranus. Using the Genesis flight mechanics simulation, we analyze both undispersed and dispersed trajectories in order to tune the guidance parameters. We then assess the performance of the guidance using Monte Carlo analyses. Properly accounting for the oblateness of Uranus within the guidance proves to be critical. We identify high-to-low density gradients as the cause of large target orbit misses. Intentionally targeting a steeper flight-path angle at entry interface mitigates the risk of exiting the atmosphere on a hyperbolic orbit. Finally, We deliver the guidance code and tuned parameters for integration into the Program to Optimize Simulated Trajectories II.

Daniel A Matz↗

User's Manual for RESRAD-BUILD Code Version 4: Vol. 2 - User's Guide for RESRAD-BUILD Code Version 4

The RESRAD-BUILD computer code is designed to assess radiological doses to individuals who live or work in a building contaminated with radioactive material. The code is equipped with a user-friendly interface that has many features to facilitate using the computer code and understanding the results. The design of the interface provides various options, from entering data and performing calculations to displaying calculation results. General and context-specific help are available, providing information on editing and viewing the radionuclide database, the definitions of input parameters and their use in the calculations, and the selection of the calculation results for placement into other applications. Two types of sensitivity analysis are supported by the code, i.e., deterministic and probabilistic, that can be used to study the influence of input parameters on the calculation results. This user’s guide provides instructions to help users on how to install the RESRAD-BUILD code, navigate the interface, and use the various features to set up a dose/risk analysis and to view/print the results in text and graphical outputs.

61 RADIATION PROTECTION AND DOSIMETRY↗

Mesh Computing Remote Automatic Workflow

The software suite uses a microservice architecture using Docker and `docker-compose`. The microservices are as follows: 1. User interface. This interface is written in JavaScript using the Svelte framework. It exposes form elements and a 3D visualizer to prompt the user through the definition of microstructure parameters, and setting parameters for mesh generation and refinement. 2. Mesh generator. This is a container running the Python package for DREAM3D to generate a voxelized mesh that represents a microstructure defined by the user in the interface. 3. Cubit runner. This is a secure shell protocol tool that makes the submitting the DREAM mesh to an HPC instance and starts to run Cubit shell commands to smooth the grain boundaries with its `sculpt` library, applies user-defined boundary node sets, and bundles and returns the simulation-ready meshes and input files as a zipped directory.

Harris, BrennanKay↗

An Application Programming Interface for Synthetic Snowflake Particle Structure and Scattering Data

The work by Kuo and colleagues on growing synthetic snowflakes and calculating their single-scattering properties has demonstrated great potential to improve the retrievals of snowfall. To grant colleagues flexible and targeted access to their large collection of sizes and shapes at fifteen (15) microwave frequencies, we have developed a web-based Application Programming Interface (API) integrated with NASA Goddard's Precipitation Processing System (PPS) Group. It is our hope that the API will enable convenient programmatic utilization of the database. To help users better understand the API's capabilities, we have developed an interactive web interface called the OpenSSP API Query Builder, which implements an intuitive system of mechanisms for selecting shapes, sizes, and frequencies to generate queries, with which the API can then extract and return data from the database. The Query Builder also allows for the specification of normalized particle size distributions by setting pertinent parameters, with which the API can also return mean geometric and scattering properties for each size bin. Additionally, the Query Builder interface enables downloading of raw scattering and particle structure data packages. This presentation will describe some of the challenges and successes associated with developing such an API. Examples of its usage will be shown both through downloading output and pulling it into a spreadsheet, as well as querying the API programmatically and working with the output in code.

reflectivity properties of snowflakes↗

Dual–Interface–Reinforced Flexible Perovskite Solar Cells for Enhanced Performance and Mechanical Reliability

Two key interfaces in flexible perovskite solar cells (f-PSCs) are mechanically reinforced simultaneously: one between the electron-transport layer (ETL) and the 3D metal-halide perovskite (MHP) thin film using self-assembled monolayer (SAM), and the other between the 3D-MHP thin film and the hole-transport layer (HTL) using an in situ grown low-dimensional (LD) MHP capping layer. The interfacial mechanical properties are measured and modeled. This rational interface engineering results in the enhancement of not only the mechanical properties of both interfaces but also their optoelectronic properties holistically. As a result, the new class of dual-interface-reinforced f-PSCs has an unprecedented combination of the following three important performance parameters: high power-conversion efficiency (PCE) of 21.03% (with reduced hysteresis), improved operational stability of 1000 h T90 (duration at 90% initial PCE retained), and enhanced mechanical reliability of 10 000 cycles n88 (number of bending cycles at 88% initial PCE retained). Furthermore, the scientific underpinnings of these synergistic enhancements are elucidated.

14 SOLAR ENERGY↗

Projective Representations, Bogomolov Multiplier, and Their Applications in Physics

We present a pedagogical review of projective representations of finite groups and their physical applications in quantum many-body systems. Some of our physical results are new. We begin with a self-contained introduction to projective representations, highlighting the role of group cohomology, representation theory, and classification of irreducible projective representations. We then focus on a special subset of cohomology classes, known as the Bogomolov multiplier, which consists of cocycles that are symmetric on commuting pairs but remain nontrivial in group cohomology. Such cocycles have important physical implications: they characterize (1+1)D SPT phases that cannot be detected by string order parameters and give rise, upon gauging, to distinct gapped phases with completely broken non-invertible Rep(G) symmetry. We construct explicit lattice models for these phases and demonstrate how they are distinguished by the fusion rules of local order parameters. We show that a pair of completely broken Rep(G) SSB phases host nontrivial interface modes at their domain walls. As an example, we construct a lattice model where the ground state degeneracy on a ring increases from 32 without interfaces to 56 with interfaces.

Bogomolov multiplier↗

The Application of Differential Scanning Calorimetry to Investigate Precipitation Behavior in Nickel-Base Superalloys Under Continuous Cooling and Heating Conditions

In this study, a suite of experimental tools and fast-acting, numerical-simulation techniques was used to quantify the precipitation behavior of three nickel-base superalloys: IN-100, LSHR, and 718. Experimental methods comprised differential scanning calorimetry (DSC) to establish the specific heat as a function of temperature and selected direct-resistance heating trials (using a Gleeble ® machine) to obtain samples for microstructural analysis. For the DSC experiments, each alloy was cooled at a prescribed constant rate (between 5 and 20 K/min) after an initial soak/equilibration in the high-temperature, single-phase (supersolvus) temperature regime. On-heating DSC trials beginning at ambient temperature were also performed on alloy 718 in three different starting conditions: super- δ -solvus solution treated and water quenched (denoted as ST), solution treated and aged (STA), and solution treated and overaged (STOA). DSC results, revealing the thermal signatures associated with the kinetics of precipitation of γ ' (IN-100, LSHR) or γ ' and γ " (718), were interpreted using a previously-developed fast-acting routine that treats concurrent nucleation, growth, coarsening, and dissolution. For these simulations, special attention was paid to various thermo-kinetic input parameters including equilibrium solvus-approach curves, bulk free energies of transformation, matrix-precipitate interface energies, and effective diffusivities. For the γ - γ ' superalloys (IN-100 and LSHR), estimates of precipitate volume fraction as a function of temperature from the specific-heat data revealed semi-quantitative agreement with simulation predictions. For the γ - γ '- γ " superalloy (718), simulation predictions of precipitate volume fractions were converted to specific heat as a function of temperature and showed semi-quantitative agreement with the direct measurements.

36 MATERIALS SCIENCE↗