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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tuning the Morphology and Electronic Properties of Single-Crystal LiNi 0.5 Mn 1.5 O 4-δ : Exploring the Influence of LiCl–KCl Molten Salt Flux Composition and Synthesis Temperature

Single-crystal materials have played a unique role in the development of high-performance cathode materials for Li batteries due to their favorable chemomechanical stability. The molten salt synthesis method has become one of the most prominent techniques used to synthesize single-crystal layered and spinel materials. In this work, the molten salt synthesis method is used as a technique to tune both the morphology and Mn 3+ content of high-voltage LiNi 0.5 Mn 1.5 O 4 (LNMO) cathodes. The resulting materials are thoroughly characterized by a suite of analytical techniques, including synchrotron X-ray core-level spectroscopy, which are sensitive to the material properties on multiple length scales. Furthermore, the multidimensional characterization allows us to build a materials library according to the molten salt phase diagram as well as to establish the relationship among synthesis, material properties, and battery performance. The results of this work show that the Mn 3+ content is primarily dependent on the synthesis temperature and increases as the temperature is increased. Additionally, the particle morphology is mostly dependent on the composition of the molten salt flux, which can be tailored to obtain well-defined octahedrons enclosed by (111) facets, plates with predominant ($11\tilde{2}$) facets, irregularly shaped particles, or mixtures of these. The electrochemical measurements indicate that the Mn 3+ content has a larger contribution to the battery performance of LNMO than do morphological characteristics and that a significant amount of Mn 3+ could become detrimental to the battery performance. However, with similar Mn 3+ contents, morphology still plays a role in influencing the battery cycle life and rate performance. The insights of molten salt synthesis parameters on the formation of LNMO, with deconvolution of the roles of Mn 3+ and morphology, are crucial to continuing studies in the rational design of LNMO cathode materials for high-energy Li batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Quantitative adaptation analytics for assessing dynamic systems of systems: LDRD Final Report

Our society is increasingly reliant on systems and interoperating collections of systems, known as systems of systems (SoS). These SoS are often subject to changing missions (e.g., nation- building, arms-control treaties), threats (e.g., asymmetric warfare, terrorism), natural environments (e.g., climate, weather, natural disasters) and budgets. How well can SoS adapt to these types of dynamic conditions? This report details the results of a three year Laboratory Directed Research and Development (LDRD) project aimed at developing metrics and methodologies for quantifying the adaptability of systems and SoS. Work products include: derivation of a set of adaptability metrics, a method for combining the metrics into a system of systems adaptability index (SoSAI) used to compare adaptability of SoS designs, development of a prototype dynamic SoS (proto-dSoS) simulation environment which provides the ability to investigate the validity of the adaptability metric set, and two test cases that evaluate the usefulness of a subset of the adaptability metrics and SoSAI for distinguishing good from poor adaptability in a SoS. Intellectual property results include three patents pending: A Method For Quantifying Relative System Adaptability, Method for Evaluating System Performance, and A Method for Determining Systems Re-Tasking.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1994

Fracture mechanics life analytical methods verification testing

Verification and validation of the basic information capabilities in NASCRAC has been completed. The basic information includes computation of K versus a, J versus a, and crack opening area versus a. These quantities represent building blocks which NASCRAC uses in its other computations such as fatigue crack life and tearing instability. Several methods were used to verify and validate the basic information capabilities. The simple configurations such as the compact tension specimen and a crack in a finite plate were verified and validated versus handbook solutions for simple loads. For general loads using weight functions, offline integration using standard FORTRAN routines was performed. For more complicated configurations such as corner cracks and semielliptical cracks, NASCRAC solutions were verified and validated versus published results and finite element analyses. A few minor problems were identified in the basic information capabilities of the simple configurations. In the more complicated configurations, significant differences between NASCRAC and reference solutions were observed because NASCRAC calculates its solutions as averaged values across the entire crack front whereas the reference solutions were computed for a single point.

Favenesi, J. A.↗
DOE OSTI2014

Application of physical and chemical characterization techniques to metallic powders

Systematic studies have been carried out on two different powder materials used for additive manufacturing: stainless steel and cobalt-chrome. The characterization of these powders is important in NIST efforts to develop appropriate measurements and standards for additive materials and to document the property of powders used in a NIST-led additive manufacturing material round robin. An extensive array of characterization techniques was applied to these two powders, in both virgin and recycled states. The physical techniques included laser diffraction particle size analysis, X-ray computed tomography for size and shape analysis, and optical and scanning electron microscopy. Techniques sensitive to chemistry, including X-ray diffraction and energy dispersive analytical X-ray analysis using the X-rays generated during scanning electron microscopy, were also employed. Results of these analyses will be used to shed light on the question: how does virgin powder change after being exposed to and recycled from one or more additive manufacturing build cycles? In addition, these findings can give insight into the actual additive manufacturing process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Simultaneous material, shape and topology optimization

Using three design fields we develop an optimization environment that can simultaneously optimize material, shape and topology. We use the implicit representation of the boundaries with level-set functions that define the shape and topology. Differentiable R-functions allow us to combine these shapes and topology descriptions with Boolean operations. Additionally, we incorporate design dependent-stiffness materials with another design field. Notably, this framework accommodates design dependent loads, has the ability to introduce holes, and ensures the satisfaction of optimality criteria. It builds upon the fictitious domain, ersatz material, material interpolation and level-set methods. Additionally, it also borrows from parameterized density-based topology optimization methods. Since analytical sensitivities can be computed, we use efficient nonlinear programming algorithms to update the design instead of the Hamilton–Jacobi’s scheme of level-set methods. We illustrate the features of our framework by designing a cantilever beam with octet truss microlattice, a dam with design-dependent loads, and a composite clevis plate.

42 ENGINEERING↗
DOE OSTI2023

Potential for constraining sequence stratigraphy and cycle stratigraphy with U-Pb dating of carbonates

Studies of sequence stratigraphy and cycle stratigraphy in carbonate formations increasingly improve our understanding of depositional systems and basinal to global correlations. However, there is still a scarcity of dated sequences to determine the time length of sequences and cycles. Furthermore, the durations of sequences and cycles provide tests of the processes that produce them. Poor age resolution mostly stems from the lack of recognizable volcanic ash deposits in many sections. Through continuing advances in analytical techniques and approaches to sampling, the current state of Usingle bondPb dating of carbonate sedimentary rocks provides opportunities to fill in age gaps. The approach should build on well-constrained 3-dimensional stratigraphic architectures and diagenetic stratigraphies.

58 GEOSCIENCES↗
DOE OSTI2014

Synthesis of layered double hydroxide nanosheets by coprecipitation using a T-type microchannel reactor

The synthesis of Mg{sub 2}Al–NO{sub 3} layered double hydroxide (LDH) nanosheets by coprecipitation using a T-type microchannel reactor is reported. Aqueous LDH nanosheet dispersions were obtained. The LDH nanosheets were characterized by X-ray diffraction, transmission electron microscopy, atomic force microscopy and particle size analysis, and the transmittance and viscosity of LDH nanosheet dispersions were examined. The two-dimensional LDH nanosheets consisted of 1–2 brucite-like layers and were stable for ca. 16 h at room temperature. In addition, the co-assembly between LDH nanosheets and dodecyl sulfate (DS) anions was carried out, and a DS intercalated LDH nanohybrid was obtained. To the best of our knowledge, this is the first report of LDH nanosheets being directly prepared in bulk aqueous solution. This simple, cheap method can provide naked LDH nanosheets in high quantities, which can be used as building blocks for functional materials. - Graphical abstract: Layered double hydroxide (LDH) nanosheets were synthesized by coprecipitation using a T-type microchannel reactor, and could be used as basic building blocks for LDH-based functional materials. Display Omitted - Highlights: • LDH nanosheets were synthesized by coprecipitation using a T-type microchannel reactor. • Naked LDH nanosheets were dispersed in aqueous media. • LDH nanosheets can be used as building blocks for functional materials.

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

Hydration effects on the electronic properties of eumelanin building blocks

Theoretical results for the electronic properties of eumelanin building blocks in the gas phase and water are presented. The building blocks presently investigated include the monomeric species DHI (5,6-dihydroxyindole) or hydroquinone (HQ), DHICA (5,6-dihydroxyindole-2-carboxylic acid), indolequinone (IQ), quinone methide (MQ), two covalently bonded dimers [HM ≡ HQ + MQ and IM ≡ IQ + MQ], and two tetramers [HMIM ≡ HQ + IM, IMIM ≡ IM + IM]. The electronic properties in water were determined by carrying out sequential Monte Carlo/time dependent density functional theory calculations. The results illustrate the role played by hydrogen bonding and electrostatic interactions in the electronic properties of eumelanin building blocks in a polar environment. In water, the dipole moments of monomeric species are significantly increased ([54–79]%) relative to their gas phase values. Recently, it has been proposed that the observed enhancement of the higher-energy absorption intensity in eumelanin can be explained by excitonic coupling among eumelanin protomolecules [C.-T. Chen et al., Nat. Commun. 5, 3859 (2014)]. Here, we are providing evidence that for DHICA, IQ, and HMIM, the electronic absorption toward the higher-energy end of the spectrum ([180–220] nm) is enhanced by long-range Coulombic interactions with the water environment. It was verified that by superposing the absorption spectra of different eumelanin building blocks corresponding to the monomers, dimers, and tetramers in liquid water, the behaviour of the experimental spectrum, which is characterised by a nearly monotonic decay from the ultraviolet to the infrared, is qualitatively reproduced. This result is in keeping with a “chemical disorder model,” where the broadband absorption of eumelanin pigments is determined by the superposition of the spectra associated with the monomeric and oligomeric building blocks.

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

Fast and low-cost method to fabricate large-area superhydrophobic surface on steel substrate with anticorrosion and anti-icing properties

A facile and quick fabrication method was proposed to prepare superhydrophobic surfaces on iron substrate by chemical immersion and subsequent stearic acid modification. The association between wettability and surface morphology was studied through altering the copper ion concentration and immersion time. Surface tension instrument, scanning electron microscopy, x-ray diffraction, x-ray photoelectron spectroscopy, and electrochemical workstation were used to characterize the wettability, physical morphology, chemical composition, and corrosion resistance ability of the prepared film. Results showed that both the rough micro/nanostructures and low surface energy material play critical roles in surface wettability. The superhydrophobic film achieved a better anticorrosion property compared to barrier iron by analysis of open circuit potential, potentiodynamic polarization curves, and Nyquist plots. In addition, the superhydrophobic surface showed excellent performance of acid and alkali resistance, anti-icing, and self-cleaning through a series of environmental tests. This study provides a valid method for quick-preparation of the stable superhydrophobic surfaces, which has a promising application in steel buildings and facilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Artificial Intelligence for Earth System Predictability (AI4ESP) (2021 Workshop Report)

In October 2021, the U.S. Department of Energy (DOE) welcomed participants to the Artificial Intelligence for Earth System Predictability (AI4ESP) Workshop, hosted by the Office of Biological and Environmental Research (BER)—Advanced Scientific Computing Research (ASCR). The workshop is part of BER-ASCR’s ambition to more radically and aggressively advance prediction capabilities in the climate, Earth, and environmental sciences through the use of modern data analytics and artificial intelligence (AI). Advances in these capabilities are needed to improve predictions of climate change and extreme events that provide actionable information for planning and building resilience to their impacts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Building 871 and 874 Retaining Wall Project Soil Sampling and Analysis Plan

This Soil Sampling and Analysis Plan (SAP) was prepared by the Environmental Functional Area (EFA)/Technical Services Department (TSD) of the Environment, Safety & Health (ES&H) Directorate for the Project Management Office (PMO) for the proposed retaining wall near Buildings 871 and 874 (project) (Figure 1). The purpose of the SAP is to describe the procedures for collection and analysis of environmental samples and evaluation of analytical data (chemical and radiological) to determine management options of excavated soil during project construction. This SAP follows criteria established in Lawrence Livermore National Laboratory’s (LLNL) Soils Screening and Management Plan (SSMP) (LLNL 2022), which was formalized in accordance with U.S. Environmental Protection Agency (EPA) guidance for developing Data Quality Objectives for environmental data (EPA 2006) and the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance (U.S. NRC, U.S. EPA, U.S. DOE, and U.S. DOD 2000). The scope of this SAP is based on preliminary design information provided by PMO.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Methodology For Determining The Effective Aircraft Impact Area For Irregularly Shaped Facilities

This report presents a computational methodology for determining the effective aircraft impact area for irregularly shaped facilities, extending the approach in Department of Energy (DOE) Standard 3014 by decomposing “critical areas” into multiple rectangular nodes rather than relying on a single bounding cuboid. This method reduces unnecessary conservatism that can arise when non-critical space is enveloped by a single footprint. The facility’s critical areas are partitioned into nodes of constant height, a baseline aircraft impact trajectory is established, and the facility perspective is rotated to accommodate arbitrary heading angles. For each node, analytic expressions are provided to construct the node-specific effective impact polygon that accounts for skid distance, structural footprint, fly-in (shadow) region driven by building height and descent angle, and wingspan offsets capturing wing-only strikes.

42 ENGINEERING↗
NASA NTRS2011

NASA Accident Precursor Analysis Handbook, Version 1.0

Catastrophic accidents are usually preceded by precursory events that, although observable, are not recognized as harbingers of a tragedy until after the fact. In the nuclear industry, the Three Mile Island accident was preceded by at least two events portending the potential for severe consequences from an underappreciated causal mechanism. Anomalies whose failure mechanisms were integral to the losses of Space Transportation Systems (STS) Challenger and Columbia had been occurring within the STS fleet prior to those accidents. Both the Rogers Commission Report and the Columbia Accident Investigation Board report found that processes in place at the time did not respond to the prior anomalies in a way that shed light on their true risk implications. This includes the concern that, in the words of the NASA Aerospace Safety Advisory Panel (ASAP), "no process addresses the need to update a hazard analysis when anomalies occur" At a broader level, the ASAP noted in 2007 that NASA "could better gauge the likelihood of losses by developing leading indicators, rather than continue to depend on lagging indicators". These observations suggest a need to revalidate prior assumptions and conclusions of existing safety (and reliability) analyses, as well as to consider the potential for previously unrecognized accident scenarios, when unexpected or otherwise undesired behaviors of the system are observed. This need is also discussed in NASA's system safety handbook, which advocates a view of safety assurance as driving a program to take steps that are necessary to establish and maintain a valid and credible argument for the safety of its missions. It is the premise of this handbook that making cases for safety more experience-based allows NASA to be better informed about the safety performance of its systems, and will ultimately help it to manage safety in a more effective manner. The APA process described in this handbook provides a systematic means of analyzing candidate accident precursors by evaluating anomaly occurrences for their system safety implications and, through both analytical and deliberative methods used to project to other circumstances, identifying those that portend more serious consequences to come if effective corrective action is not taken. APA builds upon existing safety analysis processes currently in practice within NASA, leveraging their results to provide an improved understanding of overall system risk. As such, APA represents an important dimension of safety evaluation; as operational experience is acquired, precursor information is generated such that it can be fed back into system safety analyses to risk-inform safety improvements. Importantly, APA utilizes anomaly data to predict risk whereas standard reliability and PRA approaches utilize failure data which often is limited and rare.

Groen, Frank↗
DOE OSTI2015

Probing the nature of electron transfer in metalloproteins on graphene-family materials as nanobiocatalytic scaffold using electrochemistry

Graphene-based nanomaterials have shown great promise not only in nanoelectronics due to ultrahigh electron mobility but also as biocatalytic scaffolds owing to irreversible protein surface adsorption and facilitating direct electron transfer. In this work, we synthesized stable dispersions of graphene using liquid-phase exfoliation approach based on non-covalent interactions between graphene and 1-pyrenesulfonic acid sodium salt (Py–1SO{sub 3}), 1-pyrenemethylamine salt (Py − Me-NH{sub 2}) and Pluronic{sup ®} P-123 surfactant using only water as solvent compatible with biomolecules. The resulting graphene nanoplatelets (Gr-LPE) are characterized by a combination of analytical (microscopy and spectroscopy) techniques revealing mono- to few-layer graphene displaying that the exfoliation efficiency strongly depends upon the type of pyrene-based salts and organic surfactants. Moreover being completely water-based approach, we build robust nanoscaffolds of graphene-family nanomaterials (GFNs) namely, monolayer graphene, Gr-LPE (the one prepared with Pluronic{sup ®} P-123), graphene oxide (GO) and its reduced form (rGO) on glassy carbon electrode surface with three important metalloproteins include cytochrome c (Cyt c) [for electron transfer], myoglobin (Mb) [for oxygen storage] and horseradish peroxidase (HRP) [for catalyzing the biochemical reaction]. In order to demonstrate the nanobiocatalytical activity of these proteins, we used electrochemical interfacial direct electron transfer (DET) kinetics and attempt to determine the rate constant (k{sub ET}) using two different analytical approaches namely, linear sweep voltammetry and Laviron’s theory. We elucidated that all of the metalloproteins retain their structural integrity (secondary structure) upon forming mixtures with GFNs confirmed through optical and vibrational spectroscopy and biological activity using electrochemistry. Among the GFNs studied, Gr-LPE, GO and rGO support the efficient electrical wiring of the redox centers (with an increase in catalytic efficiency of Cyt c and Mb in the presence of GFNs attributed partially to the surface functional (carboxyl, epoxide and hydroxyl) groups on GO and rGO facilitating rapid charge transfer.

36 MATERIALS SCIENCE↗
NASA NTRS2015

Earth Science Data Fusion with Event Building Approach

Objectives of the NASA Information And Data System (NAIADS) project are to develop a prototype of a conceptually new middleware framework to modernize and significantly improve efficiency of the Earth Science data fusion, big data processing and analytics. The key components of the NAIADS include: Service Oriented Architecture (SOA) multi-lingual framework, multi-sensor coincident data Predictor, fast into-memory data Staging, multi-sensor data-Event Builder, complete data-Event streaming (a work flow with minimized IO), on-line data processing control and analytics services. The NAIADS project is leveraging CLARA framework, developed in Jefferson Lab, and integrated with the ZeroMQ messaging library. The science services are prototyped and incorporated into the system. Merging the SCIAMACHY Level-1 observations and MODIS/Terra Level-2 (Clouds and Aerosols) data products, and ECMWF re- analysis will be used for NAIADS demonstration and performance tests in compute Cloud and Cluster environments.

Lukashin, C.↗
DOE OSTI2025

Comparative evaluation and selection of heat exchangers using multicriteria decision-making

Here, this study presents a well-structured method for comparing and selecting Heat Exchanger (HE) technologies for Integrated Energy Systems (IES). The decision to select a HE for a particular IES configuration can vary greatly depending not only on engineering requirements but also on customer’s specific demand. In other words, the HE selection for IES requires a multicriteria decision-making approach, taking into account diverse technical, economic, and safety aspects, as well as the relative priorities considered by energy users. This study employs a HE evaluation approach combining multicriteria decision-making techniques widely used in various industries: quality function deployment (QFD) and analytic hierarchy process (AHP) techniques. Of particular interest is the use of the proposed method to select a high-temperature HEs that couples advanced nuclear reactors and industrial processes. To build a practical basis for comparing HEs within the proposed framework, efforts were made to identify the various HEs requirements for IES purposes. In addition, leveraging the insights obtained from the literature review and the market survey of commercial HE suppliers, a knowledge base was built to facilitate the comparison of each requirement across various HE designs. Also, evaluation metrics were identified for HE requirements with robust rational to enhance the quality of decisions made throughout the proposed evaluation process. The evaluation procedure and knowledge base described in this study can provide a useful basis for those interested in screening the appropriate HE designs for various IES scenarios.

Analytic Hierarchy Process (AHP)↗
DOE OSTI2025

Biofoundries: Principles, Tools, and Applications

This chapter aims to provide a broad overview of biofoundries and introduces the principles, concepts, and case studies. We first outline the underlying principles of the Design-Build-Test-Learn (DBTL) framework and the role of automation, digital integration, and standardization. The chapter then explores core biofoundry technologies including robotic liquid handlers, high-throughput analytical instruments, and digital infrastructure for data management and workflow scheduling. Case studies spanning DNA assembly, protein engineering, metabolic engineering, and mammalian cell culture demonstrate the practical applications of the biofoundries. Economic and societal impacts are assessed alongside current limitations. We discuss the emerging trends including artificial intelligence integration and cloud-based distributed facilities to highlight its potential for biotechnology and the bioeconomy.

Singh, Nilmani↗
DOE OSTI2014

Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics

In Paper I of this work [S. Bauer, G. Mathias, and P. Tavan, J. Chem. Phys. 140, 104102 (2014)] we have presented a reaction field (RF) method, which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of polarizable molecular mechanics (MM) force fields. Building upon these results, here we suggest a method for linearly scaling Hamiltonian RF/MM molecular dynamics (MD) simulations, which we call “Hamiltonian dielectric solvent” (HADES). First, we derive analytical expressions for the RF forces acting on the solute atoms. These forces properly account for all those conditions, which have to be self-consistently fulfilled by RF quantities introduced in Paper I. Next we provide details on the implementation, i.e., we show how our RF approach is combined with a fast multipole method and how the self-consistency iterations are accelerated by the use of the so-called direct inversion in the iterative subspace. Finally we demonstrate that the method and its implementation enable Hamiltonian, i.e., energy and momentum conserving HADES-MD, and compare in a sample application on Ac-Ala-NHMe the HADES-MD free energy landscape at 300 K with that obtained in Paper I by scanning of configurations and with one obtained from an explicit solvent simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗