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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 649 records · Page 36

Stochastic robustness synthesis for a benchmark problem

Stochastic robustness analysis guides the synthesis of robust linear quadratic Gaussian (LQG) regulators for a benchmark control problem. Probabilities of exceeding allowable design limits, including stability, setting time, and control usage, are estimated by Monte Carlo evaluation. Robust, low-gain compensators that fulfill objectives are designed by numerically minimizing quadratic functions of these probabilities. The method is straightforward and makes use of uncomplicated design principles.

Stengel, Robert F.↗

How numerical simulations helped to achieve breakeven on the NIF

The inertial confinement fusion program relies upon detailed simulations with inertial confinement fusion (ICF) codes to design targets and to interpret the experimental results. These simulations treat as much physics from essential principles as is practical, including laser deposition, cross beam energy transfer, x-ray production and transport, nonlocal thermal equilibrium kinetics, thermal transport, hydrodynamic instabilities, thermonuclear burn, and transport of reaction products. Improvements in radiation hydrodynamic code capabilities and vast increases in computing power have enabled more realistic, accurate 3D simulations that treat all known asymmetry sources. We describe how numerical simulations helped to guide the program, assess the impediments to breakeven, and optimize every aspect of target design. A preshot simulation of the first National Ignition Facility experiment that surpassed breakeven predicted an increased yield that matches the experimental result, within the preshot predicted uncertainty, with a target gain of 1.5. We will cover the key developments in Lawrence Livermore National Laboratory ICF codes that enabled these simulations and give specific examples of how they helped to guide the program.

Marinak, M. M. (ORCID:0009000331127696)↗

Comprehensive view of microscopic interactions between DNA-coated colloids

Abstract The self-assembly of DNA-coated colloids into highly-ordered structures offers great promise for advanced optical materials. However, control of disorder, defects, melting, and crystal growth is hindered by the lack of a microscopic understanding of DNA-mediated colloidal interactions. Here we use total internal reflection microscopy to measure in situ the interaction potential between DNA-coated colloids with nanometer resolution and the macroscopic melting behavior. The range and strength of the interaction are measured and linked to key material design parameters, including DNA sequence, polymer length, grafting density, and complementary fraction. We present a first-principles model that screens and combines existing theories into one coherent framework and quantitatively reproduces our experimental data without fitting parameters over a wide range of DNA ligand designs. Our theory identifies a subtle competition between DNA binding and steric repulsion and accurately predicts adhesion and melting at a molecular level. Combining experimental and theoretical results, our work provides a quantitative and predictive approach for guiding material design with DNA-nanotechnology and can be further extended to a diversity of colloidal and biological systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Searching for ternary magnetic Zr–Fe–B compounds through deep machine learning

We use deep machine learning (ML) combined with first-principles calculations to search for energetically favorable ternary magnetic zirconium–iron borides. We show that an iterative ML approach enables efficient screening of vast structural libraries, effectively selecting promising candidates for subsequent first-principles investigations. Twenty-two new Fe-rich ternary compounds with formation energies within 60 meV atom −1 above the known ternary convex hull and with magnetic polarization larger than 0.6 T are identified, among which ten structures exhibit significant uniaxial anisotropy with magnetocrystalline anisotropy constant K 1 ⩾ 0.8 MJ m −3 , including a Zr 2 Fe 14 B phase. Such an ML-guided approach dramatically accelerates the discovery of rare-earth-free permanent magnetic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Use of prismatic films to control light distribution

Piping light for illumination purposes is a concept which has been around for a long time. In fact, it was the subject of an 1881 United States patent which proposed the use of mirrors inside a tube to reflect light from wall to wall down the tube. The use of conventional mirrors for this purpose, however, has not worked because mirrors do not reflect well enough. On the other hand, optical fibers composed of certain glasses or plastics are known to transport light much more efficiently. The light that enters is reflected back and forth within the walls of the fiber until it reaches the other end. This is possible by means of a principle known as 'total internal reflection'. No light escapes through the walls and very little is absorbed in the bulk of the fiber. However, while optical fibers are very efficient in transporting light, they are impractical for transporting large quantities of light. Lorne Whitehead, as a student at the University of British Columbia, recognized that prismatic materials could be used to create a 'prism light guide', a hollow structure that can efficiently transport large quantities of light. This invention is a pipe whose transparent walls are formed on the outside into precise prismatic facets. The facets are efficient total internal reflection mirrors which prevent light travelling down the guide from escaping. Very little light is absorbed by the pipe because light travels primarily in the air space within the hollow guide. And, because the guide is hollow, weight and cost factors are much more favorable than would be the case with very large solid fibers. Recent advances in precision micromachining, polymer processing, and certain other manufacturing technologies have made the development of OLF (Optical Lighting Film) possible. The process is referred to as 'microreplication' and has been found to have broad applicability in a number of diverse product areas.

Kneipp, K. G.↗

Design Principles to Govern Electrode Fabrication for the Lithium Trivanadate Cathode

A full depth of discharge mathematical model for the lithium trivanadate cathode, considering lithiation of the layered α-phase, phase change, and lithiation of the rock-salt like β-phase at lower potentials, is developed. The coupled electrode-scale and crystal-scale model is fit to electrochemical data, and additionally validated with operando EDXRD. There is good agreement between the simulated and measured spatial variation of the volume fraction of the β-phase. This mathematical model is used to guide electrode fabrication, accounting for both ionic and electronic transport effects. Values of three design parameters—electrode thickness, porosity, and volume fraction of conductor—are identified, and the sensitivity of the energy density to these design parameters is quantified. The model is also used to investigate electrode design to create electrodes that deliver the maximum achievable energy density under the constraint that the α to β-phase transition is avoided, since phase change has been demonstrated to reduce cycle life. The energy density sacrificed to avoid phase change decreases at higher discharge rates, but the target values for electrode fabrication remain the same as those when optimizing the electrode for the full depth of discharge.

25 ENERGY STORAGE↗

Fuzzy logic in control systems: Fuzzy logic controller. I, II

Recent advances in the theory and applications of fuzzy-logic controllers (FLCs) are examined in an analytical review. The fundamental principles of fuzzy sets and fuzzy logic are recalled; the basic FLC components (fuzzification and defuzzification interfaces, knowledge base, and decision-making logic) are described; and the advantages of FLCs for incorporating expert knowledge into a control system are indicated. Particular attention is given to fuzzy implication functions, the interpretation of sentence connectives (and, also), compositional operators, and inference mechanisms. Applications discussed include the FLC-guided automobile developed by Sugeno and Nishida (1985), FLC hardware systems, FLCs for subway trains and ship-loading cranes, fuzzy-logic chips, and fuzzy computers.

Lee, Chuen Chien↗

Revitalization of Space-Related Human Factors, Environmental and Habitability Data

The NASA Chief Health and Medical Officer (CHMO) recently directed that the agency establish crew health standards to aid in the development of requirements for future vehicles and habitats. Response to this direction includes development of a new NASA habitability and human factors standard and an accompanying design handbook. The new standard contains high-level, over-arching principles to assure its applicability and usability across all NASA development programs. The handbook will provide detailed design requirements and suggestions that will meet the standards. The information contained in NASA-STD-3000 will be updated and included in the new design handbook. In this approach, each new program will derive detailed program-specific requirements from the new standard using the handbook as a design guide and resource. With the completion of the standard, the focus of this year s effort is the development of the new handbook: Human Integration Design Handbook (HIDH). This is an opportunity for the space flight human factors and habitability community to consolidate up-to-date data for use by NASA programs and designers as well as outside researchers and policy makers looking for the next research focus. The goal of the handbook is to help NASA design and build human space flight systems which accommodate the capabilities and limitations of the crew so as to provide an environment where the crew can live and work effectively, safely, and comfortably. Handbook contents will address that primary goal, addressing unique aspects of space flight and habitation, including reduced gravity conditions, time lags, EVA systems and day/night cycles, not addressed in other standards or handbooks. The handbook will be divided into topics similar to NASA-STD-3000 (anthropometrics, architecture, workstations, etc.) and each topic area will contain elements for designers, human factors practitioners, program managers, operators, and researchers. The handbook will include the following elements: (1) Design considerations include a clear and concise summary of what is important to designers in space vehicle / habitat design, design information to translate Earth-base knowledge to the space environment, space issues and the data necessary to address those issues, and a consistent set of terminology. (2) Updates to Lessons Learned and example solutions from Shuttle and Station program experience will provide historical examples to help prevent repeating mistakes or reinvention of the wheel. (3) Requirements will aid in the translation of standards into program specific requirements. The scope of included requirements will define the pool that each program needs to consider and tailor for their specific program. (4) Requirements rationale will help understanding of the importance of these considerations. The HIDH development team at JSC is finalizing the format of the new handbook, prioritizing topic areas for expansion and update, and contacting subject matter experts within the scientific community to assist with this effort. Plans are also being made to continue handbook expansion and maintenance to assure it remains a valuable resource for human factors and human space flight programs.

Russo, Dane↗

Chapter 14: Dynamic Flux Analysis: An Experimental Approach of Fluxomics

Metabolic flux analysis represents an essential perspective to understand cellular physiology and offers quantitative information to guide pathway engineering. A valuable approach for experimental elucidation of metabolic flux is dynamic flux analysis, which estimates the relative or absolute flow rates through a series of metabolic intermediates in a given pathway. It is based on kinetic isotope labeling experiments, liquid chromatography-mass spectrometry (LC-MS), and computational analysis that relate kinetic isotope trajectories of metabolites to pathway activity. Herein, we illustrate the mathematic principles underlying the dynamic flux analysis and mainly focus on describing the experimental procedures for data generation. This protocol is exemplified using cyanobacterial metabolism as an example, for which reliable labeling data for central carbon metabolites can be acquired quantitatively. This protocol is applicable to other microbial systems as well and can be readily adapted to address different metabolic processes.

BASIC BIOLOGICAL SCIENCES↗

Predictive multiphase evolution in Al-containing high-entropy alloys

The ability to predict and understand phases in high-entropy alloys (HEAs) is still being debated, and primarily true predictive capabilities derive from the known thermodynamics of materials. The present work demonstrates that prior work using high-throughput first-principles calculations may be further utilized to provide direct insight into the temperature- and composition-dependent phase evolution in HEAs, particularly Al-containing HEAs with a strengthening multiphase microstructure. Using a simple model with parameters derived from first-principles calculations, we reproduce the major features associated with Al-containing phases, demonstrating a generalizable approach for exploring potential phase evolution where little experimental data exists. Neutron scattering, in situ microscopy, and calorimetry measurements suggest that our high-throughput Monte Carlo technique captures both qualitative and quantitative features for both intermetallic phase formation and microstructure evolution at lower temperatures. This study provides a simple approach to guide HEA development, including ordered multi-phase HEAs, which may prove valuable for structural applications.

36 MATERIALS SCIENCE↗

Distinct spin–lattice and spin–phonon interactions in monolayer magnetic CrI 3

In this study, we apply the density-functional theory to study various phases (including non-magnetic (NM), anti-ferromagnetic (AFM), and ferromagnetic (FM)) in monolayer magnetic chromium triiodide (CrI 3 ), a recently fabricated 2D magnetic material. It is found that: (1) the introduction of magnetism in monolayer CrI 3 gives rise to metal-to-semiconductor transition; (2) the electronic band topologies as well as the nature of direct and indirect band gaps in either AFM or FM phases exhibit delicate dependence on the magnetic ordering and spin–orbit coupling; and (3) the phonon modes involving Cr atoms are particularly sensitive to the magnetic ordering, highlighting distinct spin–lattice and spin–phonon coupling in this magnet. First-principles simulations of the Raman spectra demonstrate that both frequencies and intensities of the Raman peaks strongly depend on the magnetic ordering. The polarization dependent A 1g modes at 77 cm -1 and 130 cm -1 along with the E g mode at about 50 cm -1 in the FM phase may offer a useful fingerprint to characterize this material. Lastly, our results not only provide a detailed guiding map for experimental characterization of CrI 3 , but also reveal how the evolution of magnetism can be tracked by its lattice dynamics and Raman response.

36 MATERIALS SCIENCE↗

Electronic Structure of Double-Layer Epitaxial Graphene on SiC(0001) Modified by Gd Intercalation

In this work, we systematically study the effects of Gd adsorption and intercalation on the electronic band structure of double-layer epitaxial graphene on Si-terminated SiC(0001) by first-principles calculations. We show that Gd adsorption and intercalation exhibit strong effects on the coupling between the graphene layers and between the buffer layer and substrate. Different adsorption/intercalation geometries can result in very different electron band structures. The number of Dirac cones and the positions of the Dirac cones relative to the Fermi level can be effectively manipulated through controlling the Gd adsorption/intercalation geometries. Our calculations provide useful insights to guide the experimental design of graphene-based materials with desirable functionalities for applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Group-III quantum defects in diamond are stable spin-1 color centers

Color centers in diamond have emerged as leading solid-state “artificial atoms” for a range of quantum technologies, from quantum sensing to quantum networks. Concerted research activities are now underway to identify new color centers that combine stable spin and optical properties of the nitrogen vacancy (NV – ) with the spectral stability of the silicon vacancy (SiV – ) centers in diamond, with recent research identifying other group-IV color centers with superior properties. In this paper, we investigate a class of diamond quantum emitters from first principles, the group-III color centers, which we show to be thermodynamically stable in a spin-1, electric-field-insensitive structure. Further, from ab initio electronic structure methods, we characterize the product Jahn-Teller (pJT) effect present in the excited-state manifold of these group-III color centers, where we capture symmetry-breaking distortions associated with strong electron-phonon coupling. These predictions can guide experimental identification of group-III vacancy centers and their use in applications in quantum information science and technology.

36 MATERIALS SCIENCE↗

First Offline Results from the S3 Low-Energy Branch

We present the first results obtained from the S3 Low-Energy Branch, the gas cell setup at SPIRAL2-GANIL, which will be installed behind the S3 spectrometer for atomic and nuclear spectroscopy studies of exotic nuclei. The installation is currently being commissioned offline, with the aim to establish optimum conditions for the operation of the radio frequency quadrupole ion guides, mass separation and ion bunching, providing high-efficiency and low-energy spatial spread for the isotopes of interest. Transmission and mass-resolving power measurements are presented for the different components of the S3-LEB setup. In addition, a single-longitudinal-mode, injection-locked, pumped pulsed-titanium–sapphire laser system has been recently implemented and is used for the first proof-of-principle measurements in an offline laser laboratory. Laser spectroscopy measurements of erbium, which is the commissioning case of the S3 spectrometer, are presented using the 4f126s23H6→4f12(3H)6s6p optical transition.

Romans, Jekabs (ORCID:0000000197427745)↗

The Influence of Finite-size Sources in Acousto-ultrasonics

This work explores the effects that the finite normal axisymmetric traction loading of an infinite isotropic plate has on wave propagation in acousto-ultrasonics (AU), in which guided waves are created using two normal incidence transducers. Although the work also addresses the effects of the transducer pressure distribution and pulse shape, this thesis concentrates on two main questions: how does the transducer's diameter control the phase velocity and frequency spectrum of the response, and how does the plate thickness relate to the plate's excitability? The mathematics of the time-harmonic solution and the physical principles and the practical considerations for AU wave generation are explained. Transient sources are modeled by the linear superposition of the time-harmonic solutions found using the Hankel transform and they are then compared to experimental data to provide insight into the relation between the size of the transducer and the preferred phase velocity.

Pavlakovic, Brian N.↗

Introduction to Metadata and Ontologies: Everything You Always Wanted to Know About Metadata and Ontologies (But Were Afraid to Ask)

Metadata are contextual data about your experimental data. Metadata are the who, what, when, where, and why of these data. Metadata puts these data into context. In microbiome research, metadata includes information about the sample: when it was collected, where it was collected from, what kind of sample it is, and what were the properties of the environment or experimental condition from which the sample was taken. Information about sample processing is also metadata: methods used to extract and purify molecules (e.g., DNA) from the sample, type of DNA sequencing or other ’omics analyses done, and where the raw experimental data are located. This documentation includes information on the following topics: What are metadata? What kinds of metadata are there? Why are metadata important? Why should metadata be standardized? Why should metadata be machine readable? What is an ontology? Why are ontologies important? What are some examples of ontologies? The documentation also includes further resources on metadata guides and tools and tips for formatting metadata for maximum utility.

59 BASIC BIOLOGICAL SCIENCES↗

Deciphering coulombic loss in lithium-ion batteries and beyond

Lithium-ion batteries are pivotal for modern energy storage, yet accurately predicting their lifespan remains a critical challenge. While descriptors like coulombic efficiency are widely used to assess battery longevity, the unclear physical origins of coulombic losses cause semi-quantitative correlation with capacity, complicating battery development. Here, we combine high-precision leakage current and open-circuit-voltage measurements with charge conservation principles to explore microscopic charge consumptions at electrode-electrolyte interfaces across diverse chemistries. We demonstrate that coulombic loss arises from a synergy between local charge neutrality and global charge compensation, reconciling its quantitative correlation to capacity. Contrary to conventional assumptions equating coulombic loss with irreversible capacity loss, this framework resolves systematic overestimations and paradoxical phenomena in existing chemistries. Our findings establish physics-informed criteria for accelerated lifespan evaluation and guide rational design of long-life lithium-ion batteries and beyond.

Batteries↗

NASA Systems Engineering Handbook

The update of this handbook continues the methodology of the previous revision: a top-down compatibility with higher level Agency policy and a bottom-up infusion of guidance from the NASA practitioners in the field. This approach provides the opportunity to obtain best practices from across NASA and bridge the information to the established NASA systems engineering processes and to communicate principles of good practice as well as alternative approaches rather than specify a particular way to accomplish a task. The result embodied in this handbook is a top-level implementation approach on the practice of systems engineering unique to NASA. Material used for updating this handbook has been drawn from many sources, including NPRs, Center systems engineering handbooks and processes, other Agency best practices, and external systems engineering textbooks and guides. This handbook consists of six chapters: (1) an introduction, (2) a systems engineering fundamentals discussion, (3) the NASA program project life cycles, (4) systems engineering processes to get from a concept to a design, (5) systems engineering processes to get from a design to a final product, and (6) crosscutting management processes in systems engineering. The chapters are supplemented by appendices that provide outlines, examples, and further information to illustrate topics in the chapters. The handbook makes extensive use of boxes and figures to define, refine, illustrate, and extend concepts in the chapters.

ENGINEERING MANAGEMENT; HANDBOOKS; MANAGEMENT METH↗