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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Uncertainty Management in Remote Sensing of Climate Data. Summary of A Workshop

Great advances have been made in our understanding of the climate system over the past few decades, and remotely sensed data have played a key role in supporting many of these advances. Improvements in satellites and in computational and data-handling techniques have yielded high quality, readily accessible data. However, rapid increases in data volume have also led to large and complex datasets that pose significant challenges in data analysis (NRC, 2007). Uncertainty characterization is needed for every satellite mission and scientists continue to be challenged by the need to reduce the uncertainty in remotely sensed climate records and projections. The approaches currently used to quantify the uncertainty in remotely sensed data, including statistical methods used to calibrate and validate satellite instruments, lack an overall mathematically based framework.

Remote sensing↗
DOE OSTI2023

Importance of cross reaction covariance data for user applications

The characterization of the uncertainty in radiation damage metrics presents many challenges. This paper examines the current approaches to characterizing radiation damage metrics such as hydrogen and helium gas production, material heating, trapped charge in microelectronics, and lattice displacement damage. Critical uncertainty aspects go beyond just the material cross sections and involve the consideration of energy-dependent cross reaction correlations, the recoil ion energy spectrum, and models used for the partitioning of the recoil ion energy into various forms of energy deposition. This paper starts with a review of terminology and then examines the current approaches in the characterization of uncertainty in radiation damage metrics for several applications. The major deficiencies in the uncertainty of the damage metric characterization are also identified.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomically Dispersed Metals on Well-Defined Supports including Zeolites and Metal–Organic Frameworks: Structure, Bonding, Reactivity, and Catalysis

When metals in supported catalysts are atomically dispersed, they are usually cationic and bonded chemically to supports. Investigations of noble metals in this class are growing rapidly, leading to discoveries of catalysts with new properties. Characterization of these materials is challenging because the metal atoms reside on surfaces that are typically nonuniform in composition and structure. We posit that understanding of structures and catalytic properties of these materials is emerging most strongly from investigations of structurally uniform catalysts (metal atoms dispersed on crystalline supports) which can be characterized incisively with atomic-resolution electron microscopy, X-ray absorption spectroscopy, and infrared spectroscopy, bolstered by density functional theory. We assess the literature of such catalysts supported on zeotype materials, metal–organic frameworks, and covalent organic frameworks. Finally, assessing characterization, reactivity, and catalytic performance of catalysts for oxidation, hydrogenation, the water–gas shift reaction, and others, we consider metal–support interactions and ligand effects for various metal–support combinations, evaluating the degree of structural uniformity of exemplary catalysts and summarizing structure–reactivity and structure–catalytic property relationships.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Synthetic feed-forward loop circuit boosts transgene expression in sugarcane

Bio-based products derived from natural plant-derived materials offer a promising alternative to petroleum-based products, which are essential for achieving global sustainability (Gupta et al. 2022). Sugarcane provides 40% of the world’s biofuel (Brant et al. 2025). Recently, metabolic engineering of sugarcane for hyperaccumulation of biomass oil is emerging as a strategy to elevate the crop’s energy content (Cao et al. 2023; Maitra et al. 2024). Synthetic transcription factors offer a powerful tool for modulating entire metabolic pathways by enabling fine-tuned activation or repression of specific genes (Liu and Stewart 2016; Hooghvorst and Altpeter 2023). However, the application of these technologies faces challenges, including the availability of well-characterized genetic building blocks for precise manipulation of gene expression, and the inherently challenging properties of gene expression in highly polyploid crops like sugarcane (Liu and Stewart 2016).

60 APPLIED LIFE SCIENCES↗
NASA NTRSDate not supplied

The Search for Chiral Asymmetry as a Potential Biosignature in Samples from Mars

The search for evidence of extraterrestrial life in our solar system has been guided by our under-standing of terrestrial biology and its associated biosignatures. The observed homochirality in all life on Earth, that is, the predominance of “left-handed” or L-amino acids and “right-handed” or D-sugars, is a unique property of life that is crucial for molecular recognition, enzymatic function, information storage and structure, and is thought to be a prerequisite for the origin or early evolution of life. Therefore, the detection of L- or D-excesses of chiral amino acids or sugars could be a powerful indicator of extant or extinct life on Mars or other habitable environments in our solar system. However, studies of primitive meteorites have revealed that they contain extraterrestrial amino acids and sugar acids with large enantiomeric excesses (60% and higher) that resulted from non-biological processes [1], complicating the use of chiral asymmetry by itself as a definitive biosignature. The exploration of habitable environments on Mars, including an assessment of the preservation potential for complex organics of either abiotic or biological origin, is an objective of both current and future Mars missions. Now with the unambiguous detection of indigenous organic matter in sedimentary rocks by the Sample Analysis at Mars (SAM) instrument suite on Mars [2-5], NASA’s Curiosity rover has found evidence of the preservation of potential chemical biosignatures in the martian near surface. Although amino acids have not yet been identified by in situ measurements on Mars [5], indigenous achiral amino acids have been identified in one martian meteorite [6]. It is expected that amino acid racemization would be very slow and any chiral or isotopic signatures from an extinct martian biota could be preserved for billions of years, given the extremely cold and dry surface conditions [7]. The ESA/Roscosmos ExoMars mission scheduled for launch next year includes the Rosalind Franklin rover designed to acquire samples from a depth of ~2 m and deliver them to a suite of instruments, including the Mars Organic Molecule Analyzer (MOMA). The MOMA instrument contains a wet chemistry experiment designed specifically for the detection of amino acids and measurement of their enantiomeric compositions [8]. The complexity and limited duration of spaceflight operations, and the known analytical challenges associated with in situ extraction and characterization of trace reduced organic com-pounds in ancient rocks, make it challenging to determine the origins of martian organic matter found to date. Coordinated state-of-the-art laboratory measurements of returned samples from Mars that include spatially resolved chemical, mineralogical, bulk and molecule-specific isotopic, and enantiomeric measurements will be required to firmly establish whether the complex organic matter detected on Mars derives from bio-tic or abiotic processes. Ultimately, Mars Sample Return of rock cores collected by NASA’s Perseverance rover may be our best chance of identifying chemical biosignatures, including any chiral amino acid asymmetry resulting from a past or present martian biota, if one ever existed on Mars. Here we review our current knowledge of the distributions, and enantiomeric and isotopic com-positions of amino acids found in meteorites compared to terrestrial biochemistry. We also propose a set of measurement criteria that should be used to help establish the sources of any amino acids detected in samples returned from Mars using state-of-the-art gas and liquid chromatography mass spectrometry techniques [1].

D P Glavin↗
NASA NTRS2017

Imaging Systems for Size Measurements of Debrisat Fragments

The overall objective of the DebriSat project is to provide data to update existing standard spacecraft breakup models. One of the key sets of parameters used in these models is the physical dimensions of the fragments (i.e., length, average-cross sectional area, and volume). For the DebriSat project, only fragments with at least one dimension greater than 2 mm are collected and processed. Additionally, a significant portion of the fragments recovered from the impact test are needle-like and/or flat plate-like fragments where their heights are almost negligible in comparison to their other dimensions. As a result, two fragment size categories were defined: 2D objects and 3D objects. While measurement systems are commercially available, factors such as measurement rates, system adaptability, size characterization limitations and equipment costs presented significant challenges to the project and a decision was made to develop our own size characterization systems. The size characterization systems consist of two automated image systems, one referred to as the 3D imaging system and the other as the 2D imaging system. Which imaging system to use depends on the classification of the fragment being measured. Both imaging systems utilize point-and-shoot cameras for object image acquisition and create representative point clouds of the fragments. The 3D imaging system utilizes a space-carving algorithm to generate a 3D point cloud, while the 2D imaging system utilizes an edge detection algorithm to generate a 2D point cloud. From the point clouds, the three largest orthogonal dimensions are determined using a convex hull algorithm. For 3D objects, in addition to the three largest orthogonal dimensions, the volume is computed via an alpha-shape algorithm applied to the point clouds. The average cross-sectional area is also computed for 3D objects. Both imaging systems have automated size measurements (image acquisition and image processing) driven by the need to quickly and accurately measure tens of thousands of debris fragments. Moreover, the automated size measurement reduces potential fragment damage/mishandling and ability for accuracy and repeatability. As the fragment characterization progressed, it became evident that the imaging systems had to be revised. For example, an additional view was added to the 2D imaging system to capture the height of the 2D object. This paper presents the DebriSat project's imaging systems and calculation techniques in detail; from design and development to maturation. The experiences and challenges are also shared.

Shiotani, B.↗
DOE OSTI2021

Toward quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states

This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shells. These states have been intensively studied over the last few decades especially in supporting the experimental effort at light sources. Results obtained with the QPE are compared with various high-accuracy many-body techniques developed to describe core-level states. The feasibility of the quantum phase estimator in identifying classes of challenging shake-up states characterized by the presence of higher-order excitation effects is also discussed.

Bauman, Nicholas P.↗
DOE OSTI2023

Commercial Vehicle Electrification Evaluation Toolkit (CVEET)

The CVEET can identify and characterize charging and battery capacity challenges for class 3-8 commercial vehicle electrification, including battery electric and plug in hybrid vehicles for various trucks, vans and buses, over a wide range of vehicle operation. The tool can help build the understanding of the impact of commercial vehicle electrification on energy consumption, payload penalty, and GHG (i.e., CO2) emissions. The tool employs a quantitative approach to estimate electric vehicle energy consumption, characterize component performance and determine appropriate charging assumptions to conduct a comprehensive priority analysis of MD/HD vehicle electrification using public domain data.

Gao, Zhiming↗
NASA NTRS1996

A New Generation Fiber Optic Probe: Characterization of Biological Fluids, Protein Crystals and Ophthalmic Diseases

A new fiber optic probe developed for determining transport properties of sub-micron particles in fluids experiments in a microgravity environment has been applied to characterize particulate dispersions/suspensions in various challenging environments which have been hitherto impossible. The probe positioned in front of a sample delivers a low power light (few nW - 3mW) from a laser and guides the light which is back scattered by the suspended particles through a receiving optical fiber to a photo detector and to a digital correlator. The probe provides rapid determination of macromolecular diffusivities and their respective size distributions. It has been applied to characterize various biological fluids, protein crystals, and ophthalmic diseases.

Ansari, Rafat R.↗
DOE OSTI2024

CRISPR-COPIES: an in silico platform for discovery of neutral integration sites for CRISPR/Cas-facilitated gene integration

Abstract The CRISPR/Cas system has emerged as a powerful tool for genome editing in metabolic engineering and human gene therapy. However, locating the optimal site on the chromosome to integrate heterologous genes using the CRISPR/Cas system remains an open question. Selecting a suitable site for gene integration involves considering multiple complex criteria, including factors related to CRISPR/Cas-mediated integration, genetic stability, and gene expression. Consequently, identifying such sites on specific or different chromosomal locations typically requires extensive characterization efforts. To address these challenges, we have developed CRISPR-COPIES, a COmputational Pipeline for the Identification of CRISPR/Cas-facilitated intEgration Sites. This tool leverages ScaNN, a state-of-the-art model on the embedding-based nearest neighbor search for fast and accurate off-target search, and can identify genome-wide intergenic sites for most bacterial and fungal genomes within minutes. As a proof of concept, we utilized CRISPR-COPIES to characterize neutral integration sites in three diverse species: Saccharomyces cerevisiae, Cupriavidus necator, and HEK293T cells. In addition, we developed a user-friendly web interface for CRISPR-COPIES (https://biofoundry.web.illinois.edu/copies/). We anticipate that CRISPR-COPIES will serve as a valuable tool for targeted DNA integration and aid in the characterization of synthetic biology toolkits, enable rapid strain construction to produce valuable biochemicals, and support human gene and cell therapy applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Advancing Molecular Weight Determination of Lignin by Multi-Angle Light Scattering

Due to the complexity and recalcitrance of lignin, its chemical characterization is a key factor preventing the valorization of this abundant material. Multi-angle light scattering (MALS) is becoming a sought-after technique for absolute molecular weight (MW) determination of polymers and proteins. Lignin is a suitable candidate for MW determination via MALS, yet further investigation is required to confirm its absolute MW values and molecular size. Studies aiming to break down lignin into a variety of renewable products will benefit greatly from a simple and reliable determination method like MALS. Recent pioneering studies, discussed in this review, addressed several key challenges in lignin’s MW characterization. Nevertheless, some lignin-specific issues still need to be considered for in-depth characterization. This study explores how MALS instrumentation manages the complexities of determining lignin’s MW, e.g., with simultaneous fractionation and fluorescence interference mitigation. Additionally, we rationalize the importance of a more detailed light scattering analysis for lignin characterization, including aspects like the second virial coefficient and radius of gyration.

differential refractive index increment↗
DOE OSTI2023

Perovskite Solar Module: Promise and Challenges in Efficiency, Meta‐Stability, and Operational Lifetime

Abstract Perovskite photovoltaics (PVs) are an emerging solar energy generation technology that is nearing commercialization. Despite the unprecedented progress in increasing power conversion efficiency (PCE) for perovskite solar cells (PSCs), up‐scaling lab‐made cells to solar modules remains a challenge. In this work, the recent progress of making perovskite mini‐modules is reviewed. In particular, a database summarizing the module size, performance, hysteresis, and operational lifetimes reported in the literature is built. After analyzing the performance losses from scaling PSCs to mini‐modules based on the data collected from the literature, the current key to high‐performance perovskite mini‐modules is found to be the coating method optimization. If the perovskite layer quality is well reserved, a >24% mini‐module efficiency is projected by only considering the losses from lateral resistivity and laser scribing area. Next, performance characteristics are explored including hysteresis and meta‐stable power outputs that must be overcome to correctly characterize perovskite modules. Finally, current challenges associated with the long‐term stability of perovskite modules are examined and the importance of such durability for commercialization is discussed. It is hoped that the findings in this review provide a bridge for the development of perovskite modules that will lead to commercialization in the near future.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Accelerating Discovery of Solid‐State Thin‐Film Metal Dealloying for 3D Nanoarchitecture Materials Design through Laser Thermal Gradient Treatment

Thin‐film solid‐state metal dealloying (thin‐film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration into practical applications. Although machine learning (ML) has facilitated the design of dealloying systems, the selection of key thermal treatment parameters for nanostructure formation remains largely unknown and dependent on experimental trial and error. To overcome this challenge, a workflow enabling high‐throughput characterization of thermal treatment parameters is demonstrated using a laser‐based thermal treatment to create temperature gradients on single thin‐film samples of Nb‐Al/Sc and Nb‐Al/Cu. This continuous thermal space enables observation of dealloying transitions and the resulting nanostructures of interest. Through synchrotron X‐ray multimodal and high‐throughput characterization, critical transitions and nanostructures can be rapidly captured and subsequently verified using electron microscopy. The key temperatures driving chemical reactions and morphological evolutions are clearly identified. While the oxidation may influence nanostructure formation during thin‐film treatment, the dealloying process at the dealloying front involves interactions solely between the dealloying elements, highlighting the availability and viability of the selected systems. Further, this approach enables efficient exploration of the dealloying process and validation of ML predictions, thereby accelerating the discovery of thin‐film SSMD systems with targeted nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structural Evolution of Mixed-Addenda Keggin Polyoxometalate Anions with Atom-by-Atom Substitution

Polyoxometalates (POMs) are molecular metal oxides with distinctive electronic properties that make them promising materials for applications in energy, sensors, and memory devices. One of the most promising methods of tuning the stability, photochromic, redox, and electron-spin properties of POMs is through the substitution of the metal “addenda” atoms that, along with oxygen, constitute their cage-like structures. Because traditional synthesis methods typically produce a distribution of POMs, the isolation and characterization of multimetallic POMs with predetermined stoichiometry remains challenging. The presence of multiple energetically accessible isomers further complicates the experimental characterization and theoretical modeling of multimetallic POMs. Herein, we leverage the distinguishing mass-selection capabilities of ion soft landing to prepare stoichiometrically selected Keggin PMo x W 12-x O 40 3- (x = 0 – 6, 8, 10, and 12) POMs on self-assembled monolayer surfaces free of the solvent molecules and counterions that often confound characterization of complex species at interfaces. The structures of the supported POMs are characterized with atom-by-atom precision using in situ infrared (IR) reflection absorption spectroscopy complemented by detailed density functional theory calculations. Our joint experimental and theoretical results reveal an almost linear shift in the positions of the IR bands towards lower wavenumbers with an increase in the number of lighter molybdenum atoms compared to heavier W atoms in PMoxW 12-x O 40 3- . The theoretical calculations also indicate that numerous isomeric structures may be populated at the experimental conditions and, consequently, contribute to the overall IR spectra. In conclusion, our findings indicate that in addition to the number of substituted addenda atoms and the presence of multiple isomeric structures, interactions with the surface play an important role in determining the IR spectra and structure of supported bimetallic POMs.

Prabhakaran, Venkateshkumar [Pacific Northwest Nat↗
DOE OSTI2024

Proteomics Analysis of Human Contaminant Proteins

Complete characterization of unknowns via proteomics remains challenging. There exist regions of mass spectrometry-based proteomics data where empirical measurements are not attributed to peptides, and/or sequenced peptides from mass spectra are not attributed to any source. These uncharacterized regions are known as the “dark” proteome. Many proteomics tools rely on some a priori knowledge of sample composition; few tools allow for investigation of unknowns without relying on composition assumptions. Further, the potential low abundance of minor traces in these uncharacterized regions can make elucidation of the “dark” proteome challenging. Herein, we describe the development and evaluation of approaches to study the “dark” proteome and move towards an untargeted approach for more complete characterization, namely by studying minor human protein traces in non-human samples and combining that approach with non-human source organism identification without relying on assumptions. Human protein markers, in the form of genetically variant peptides, have been extensively examined in a variety of human matrices, including blood, plasma, and hair, but have yet to be investigated in non-human samples, such as cell cultures, as human contaminant traces. Genetically variant peptides are those that are found in proteins carrying single nucleotide polymorphisms. In this work, we aimed to (1) investigate the feasibility of detecting human contaminant genetically variant peptides (GVPs) in a diverse set of non-human organisms using public proteomics data and a computational pipeline, as well as to (2) develop a combined capability for untargeted source organism characterization and GVP detection. To our knowledge, this is the first report of applying these approaches towards a more complete proteomic characterization of unknowns. We successfully demonstrate the feasibility of broad human contaminant GVP detection in proteomics data, develop a better understanding of GVP detectability, characterize the sample-to-sample variability in GVP detection, and identify a core set of GVPs that can potentially be used as markers indicative of the human contaminant traces portion of the “dark” proteome. Further, we developed and evaluated a combined pipeline, MARLOWE-GVP, that enables both untargeted source organism characterization and GVP detection. We show high accuracy of correct source organism characterization and high degree of similarity of human contaminant GVP detection compared to the conventional approach. Success on both these efforts have allowed us to advance our understanding and characterization of the “dark” proteome.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2006

Fracture Mechanics for Composites: State of the Art and Challenges

Interlaminar fracture mechanics has proven useful for characterizing the onset of delaminations in composites and has been used with limited success primarily to investigate onset in fracture toughness specimens and laboratory size coupon type specimens. Future acceptance of the methodology by industry and certification authorities however, requires the successful demonstration of the methodology on the structural level. In this paper, the state-of-the-art in fracture toughness characterization, and interlaminar fracture mechanics analysis tools are described. To demonstrate the application on the structural level, a panel was selected which is reinforced with stringers. Full implementation of interlaminar fracture mechanics in design however remains a challenge and requires a continuing development effort of codes to calculate energy release rates and advancements in delamination onset and growth criteria under mixed mode conditions.

Krueger, Ronald↗
NASA NTRS1985

The space shuttle ascent vehicle aerodynamic challenges configuration design and data base development

The phase B Space Shuttle systems definition studies resulted in a generic configuration consisting of a delta wing orbiter, and two solid rocket boosters (SRB) attached to an external fuel tank (ET). The initial challenge facing the aerodynamic community was aerodynamically optimizing, within limits, this configuration. As the Shuttle program developed and the sensitivities of the vehicle to aerodynamics were better understood the requirements of the aerodynamic data base grew. Adequately characterizing the vehicle to support the various design studies exploded the size of the data base to proportions that created a data modeling/management challenge for the aerodynamicist. The ascent aerodynamic data base originated primarily from wind tunnel test results. The complexity of the configuration rendered conventional analytic methods of little use. Initial wind tunnel tests provided results which included undesirable effects from model support tructure, inadequate element proximity, and inadequate plume simulation. The challenge to improve the quality of test results by determining the extent of these undesirable effects and subsequently develop testing techniques to eliminate them was imposed on the aerodynamic community. The challenges to the ascent aerodynamics community documented are unique due to the aerodynamic complexity of the Shuttle launch. Never before was such a complex vehicle aerodynamically characterized. The challenges were met with innovative engineering analyses/methodology development and wind tunnel testing techniques.

Dill, C. C.↗