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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Understanding Thermal Transport in Polymer - Silver Nanowire Composites

Understanding thermal transport across filler-polymer interfaces and filler-filler contacts within polymer composites is of great importance for better thermal design of the composites that are widely used in high-performance heat exchangers, energy storage devices, and flexible electronics. Over the past several decades, considerable progress has been made in improving the thermal conductivity of polymer composites, but several key questions concerning the influence of interfacial thermal resistance, or Kapitza resistance, still remain. Firstly, the thermal properties of these composites are highly dependent on thermal transport through the filler network and its contacts. For metallic nanofillers, the thermal conductivity is often estimated using the Wiedemann-Franz law based on electrical conductivity; however, it remains a question whether the Wiedemann-Franz law still holds at nanoscale contacts. Through investigation of silver nanowires of varying sizes, we were able to demonstrate that the Lorenz number for silver nanowire increases with decreasing nanowire diameter. Examination of the corresponding electrical and thermal conductivities indicate that these changes are due to that the relative contribution of phonons becomes more significant as a result of elastic stiffening. Furthermore, we show that for silver nanowires, the contact thermal resistance is ~8 times lower than that of multi-walled carbon nanotube (MWCNT) of similar diameters. Additionally, through systematic studies of electrospun polymer-silver nanowire composite nanofibers, we investigated the impact of interface morphology on the thermal conductivity enhancement of the composite system and probed the value of the Kapitza resistance for individual polymer-filler interfaces. For polymer nanofibers containing continuous, single silver nanowires, the thermal conductivity increases linearly with increasing volume fraction of silver, which is consistent with the prediction of percolation theory for samples above the percolation limit. By comparing this linear trend to the measured thermal conductivities of composite nanofibers with more complex structures, we were able to determine the resistance associated with any additional polymer-filler boundaries. In doing so we find that the thermal boundary resistance for polyvinylpyrrolidone (PVP)–silver interfaces is significantly lower than that of comparable polymer-MWCNT composite systems. Together our studies provide new insights into thermal transport in polymer nanocomposites and should help facilitate the design of high performance polymeric thermal interface material.

Matthew L. Fitzgerald↗
NASA NTRS1992

Frequency-dependent FDTD methods using Z transforms

While the frequency-dependent finite-difference time-domain, or (FD)2TD, method can correctly calculate EM propagation through media whose dielectric properties are frequency-dependent, more elaborate applications lead to greater (FD)2TD complexity. Z-transform theory is presently used to develop the mathematical bases of the (FD)2TD method, simultaneously obtaining a clearer formulation and allowing researchers to draw on the existing literature of systems analysis and signal-processing.

Sullivan, Dennis M.↗
DOE OSTI2025

Cation-π Bonding in Actinides: UO x + (Benzene) ( x = 0, 1, 2) Complexes Studied with Threshold Photodissociation Spectroscopy and Theory

Cation-π complexes of the form UO x + (benzene) (x = 0, 1, 2) are produced by laser vaporization and cooled in a supersonic molecular beam. These ions are mass selected and studied with UV–visible laser photodissociation spectroscopy. Each of these complexes photodissociates by elimination of the benzene ligand. Above an energetic threshold, the absorption and photodissociation are continuous, indicating a high density of strongly coupled electronic states. The thresholds for the dissociation of each of these three complexes are measured and assigned as their respective bond dissociation energies. The bond energies determined [U + –(benzene): 42.5 ± 0.3 kcal/mol; UO + –(benzene): 41.0 ± 0.3 kcal/mol; UO 2 + –(benzene): 39.7 ± 0.3 kcal/mol] are comparable to those of transition metal ion-benzene complexes. Computational studies at the DFT/B3LYP level complement the experiments, predicting dissociation energies in reasonably good agreement with the experiments. Experiments and theory agree that the U+(benzene) complex is more strongly bound than its corresponding oxide ions. This new thermochemistry on actinide cation-π bonding should stimulate higher-level computational studies on these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Control of a Flexible Space Antenna: A Finite Dimensional Perspective Based on Distributed Parameter Theory

The methods presented are based on results from infinite dimensional control theory, but they can be described and used in a finite dimensional context. This blend leads to an approach which employs powerful ideas on convergence, and is also quite practical for systems of realistic complexity. Appropriate reduced order models are generated simultaneously with the development of the compensator. The required models change as a function of changes in the performance demanded, sensor and actuator location, inherent damping, disturbances, etc. Thus they are driven by the control and estimation problems at hand. The compensators which emerge are very close to the ideal compensators which would be obtained with a very large order model. However, some simplification is frequently possible. The method of balanced realizations was found to be effective for this purpose.

Mingori, D. L.↗
NASA NTRS1985

Development of an unsteady aerodynamics model to improve correlation of computed blade stresses with test data

A reliable rotor aeroelastic analysis operational that correctly predicts the vibration levels for a helicopter is utilized to test various unsteady aerodynamics models with the objective of improving the correlation between test and theory. This analysis called Rotor Aeroelastic Vibration (RAVIB) computer program is based on a frequency domain forced response analysis which utilizes the transfer matrix techniques to model helicopter/rotor dynamic systems of varying degrees of complexity. The results for the AH-1G helicopter rotor were compared with the flight test data during high speed operation and they indicated a reasonably good correlation for the beamwise and chordwise blade bending moments, but for torsional moments the correlation was poor. As a result, a new aerodynamics model based on unstalled synthesized data derived from the large amplitude oscillating airfoil experiments was developed and tested.

Gangwani, S. T.↗
NASA NTRS2008

Lunar Surface Habitat Configuration Assessment: Methodology and Observations

The Lunar Habitat Configuration Assessment evaluated the major habitat approaches that were conceptually developed during the Lunar Architecture Team II Study. The objective of the configuration assessment was to identify desired features, operational considerations, and risks to derive habitat requirements. This assessment only considered operations pertaining to the lunar surface and did not consider all habitat conceptual designs developed. To examine multiple architectures, the Habitation Focus Element Team defined several adequate concepts which warranted the need for a method to assess the various configurations. The fundamental requirement designed into each concept included the functional and operational capability to support a crew of four on a six-month lunar surface mission; however, other conceptual aspects were diverse in comparison. The methodology utilized for this assessment consisted of defining figure of merits, providing relevant information, and establishing a scoring system. In summary, the assessment considered the geometric configuration of each concept to determine the complexity of unloading, handling, mobility, leveling, aligning, mating to other elements, and the accessibility to the lunar surface. In theory, the assessment was designed to derive habitat requirements, potential technology development needs and identify risks associated with living and working on the lunar surface. Although the results were more subjective opposed to objective, the assessment provided insightful observations for further assessments and trade studies of lunar surface habitats. This overall methodology and resulting observations will be describe in detail and illustrative examples will be discussed.

Carpenter, Amanda↗
DOE OSTI2025

Stabilizer Scars

Quantum many-body scars are eigenstates in nonintegrable isolated quantum systems that defy typical thermalization paradigms, violating the eigenstate thermalization hypothesis and quantum ergodicity. Here, we identify exact analytic scar solutions in a 2+1 dimensional lattice gauge theory in a quasi-1D limit as zero-magic resource stabilizer states. Our results also highlight the importance of magic resources for gauge theory thermalization, revealing a connection between computational complexity and quantum ergodicity.

eigenstate thermalization↗
DOE OSTI2024

Quasi-Lindblad pseudomode theory for open quantum systems

Here, we introduce a new framework to study the dynamics of open quantum systems with linearly coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary discrete set of pseudomodes with dissipative dynamics, but we further relax the complete positivity requirement in the Lindblad master equation and formulate a quasi-Lindblad pseudomode theory. We show that this quasi-Lindblad pseudomode formulation directly leads to a representation of the bath correlation function in terms of a complex weighted sum of complex exponentials, an expansion that is known to be rapidly convergent in practice and thus leads to a compact set of pseudomodes. The pseudomode representation is not unique and can differ by a gauge choice. When the global dynamics can be simulated exactly, the system dynamics is unique and independent of the specific pseudomode representation. However, the gauge choice may affect the stability of the global dynamics, and we provide an analysis of why and when the global dynamics can retain stability despite losing positivity. We showcase the performance of this formulation across various spectral densities in both bosonic and fermionic problems, finding significant improvements over conventional pseudomode formulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Stable single-site organonickel catalyst preferentially hydrogenolyses branched polyolefin C–C bonds

Current methods of processing accumulated polyolefin waste typically require harsh conditions, precious metals or high metal loadings to achieve appreciable activities. Here, in this work, we examined supported, single-site organonickel catalysts for polyolefin upcycling. Chemisorption of Ni(COD) 2 (COD, 1,5-cyclooctadiene) onto Brønsted acidic sulfated alumina (AlS) yields a highly electrophilic Ni(I) precatalyst, AlS/Ni(COD) 2 , which is converted under H 2 to the active AlS/Ni II H catalyst. This single-site system exhibits unique hydrogenolysis selectivity that favours cleaving branched polyolefin C–C linkages, enabling the hydrogenolytic separation of polyethylene and isotactic polypropylene (iPP) mixtures. Moreover, AlS/Ni II H remains highly selective and active for hydrogenolysis of iPP admixed with polyvinyl chloride, and the spent catalyst can be repeatedly regenerated by AlEt3 treatment. Experimental mechanistic analysis and density functional theory modelling reveal a turnover-limiting C–C scission pathway featuring β-alkyl transfer and strong olefin binding. These results highlight the potential of nickel-based systems for the selective upcycling of complex plastic waste streams.

green chemistry↗
NASA NTRS1972

Analysis of a dual-reflector antenna system using physical optics and digital computers

The application of physical-optics diffraction theory to a deployable dual-reflector geometry is discussed. The methods employed are not restricted to the Conical-Gregorian antenna, but apply in a general way to dual and even multiple reflector systems. Complex vector wave methods are used in the Fresnel and Fraunhofer regions of the reflectors. Field amplitude, phase, polarization data, and time average Poynting vectors are obtained via an IBM 360/91 digital computer. Focal region characteristics are plotted with the aid of a CalComp plotter. Comparison between the GSFC Huygens wavelet approach, JPL measurements, and JPL computer results based on the near field spherical wave expansion method are made wherever possible.

Schmidt, R. F.↗
NASA NTRS2001

Automatic Overset Grid Generation with Heuristic Feedback Control

An advancing front grid generation system for structured Overset grids is presented which automatically modifies Overset structured surface grids and control lines until user-specified grid qualities are achieved. The system is demonstrated on two examples: the first refines a space shuttle fuselage control line until global truncation error is achieved; the second advances, from control lines, the space shuttle orbiter fuselage top and fuselage side surface grids until proper overlap is achieved. Surface grids are generated in minutes for complex geometries. The system is implemented as a heuristic feedback control (HFC) expert system which iteratively modifies the input specifications for Overset control line and surface grids. It is developed as an extension of modern control theory, production rules systems and subsumption architectures. The methodology provides benefits over the full knowledge lifecycle of an expert system for knowledge acquisition, knowledge representation, and knowledge execution. The vector/matrix framework of modern control theory systematically acquires and represents expert system knowledge. Missing matrix elements imply missing expert knowledge. The execution of the expert system knowledge is performed through symbolic execution of the matrix algebra equations of modern control theory. The dot product operation of matrix algebra is generalized for heuristic symbolic terms. Constant time execution is guaranteed.

Robinson, Peter I.↗
NASA NTRS1990

Developing a framework for qualitative engineering: Research in design and analysis of complex structural systems

The research is focused on automating the evaluation of complex structural systems, whether for the design of a new system or the analysis of an existing one, by developing new structural analysis techniques based on qualitative reasoning. The problem is to identify and better understand: (1) the requirements for the automation of design, and (2) the qualitative reasoning associated with the conceptual development of a complex system. The long-term objective is to develop an integrated design-risk assessment environment for the evaluation of complex structural systems. The scope of this short presentation is to describe the design and cognition components of the research. Design has received special attention in cognitive science because it is now identified as a problem solving activity that is different from other information processing tasks (1). Before an attempt can be made to automate design, a thorough understanding of the underlying design theory and methodology is needed, since the design process is, in many cases, multi-disciplinary, complex in size and motivation, and uses various reasoning processes involving different kinds of knowledge in ways which vary from one context to another. The objective is to unify all the various types of knowledge under one framework of cognition. This presentation focuses on the cognitive science framework that we are using to represent the knowledge aspects associated with the human mind's abstraction abilities and how we apply it to the engineering knowledge and engineering reasoning in design.

Franck, Bruno M.↗
DOE OSTI2026

Dynamics and thermodynamics of the 𝑆 = $\frac{5}{2}$ almost Heisenberg triangular lattice antiferromagnet K 2⁢ Mn⁢(SeO 3 ) 2

Here, we report calorimetric, magnetic, and neutron scattering studies on an 𝑆 = 5/2, nearly Heisenberg triangular-lattice antiferromagnet K 2 ⁢Mn⁢(SeO 3 ) 2 with weak XXZ easy-axis anisotropy. Multiple magnetic phases are identified, including a noncollinear Y phase in zero field, a field-induced collinear 𝑚 = 1/3 magnetization plateau, and a high-field V phase. In the Y phase, the magnetic excitation spectrum exhibits both single-magnon excitations and an extended high-energy continuum. Both features are well described by nonlinear spin wave theory. In the field-induced phases, complex effects of the spectrum renormalization even for large 𝑆 = 5/2 material are clearly detectable. These results underscore the essential role of magnon-magnon interactions in the dynamics of large-𝑆 Heisenberg spin systems on a triangular lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles

Off-road vehicles, such as wheel loaders, excavators, and harvesters, are extensively utilized across a wide range of industries, including construction, agriculture, and mining. These machines have become indispensable in supporting the day-to-day operational needs of a nation, playing a critical role in various sectors' infrastructure and productivity. However, despite their utility, off-road vehicles are significant consumers of fossil fuels, resulting in substantial emissions that contribute to environmental degradation. This highlights the pressing need for research and technological advancements aimed at improving their energy efficiency and reducing their carbon footprint. There are, however, two primary challenges that must be addressed to achieve these goals. First, off-road vehicles typically perform both driving and working tasks simultaneously, which introduces a high level of complexity into their overall dynamic systems. Analysis the interactions between these functions is challenging. Second, research into off-road vehicles is inherently interdisciplinary, demanding expertise across several domains such as fluid power systems, vehicle dynamics, control theory, optimization techniques, and real-world implementation. Recognizing these challenges, we proposed the project titled "Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles" as a comprehensive solution to enhance fuel efficiency while simultaneously improving productivity. This project specifically focuses on autonomous off-road vehicles, with particular attention to wheel loaders, and seeks to develop novel methods to optimize energy consumption without sacrificing operational performance. The project integrates real-time control algorithms, vehicle dynamics modeling, and co-optimization of powertrain system and vehicle system to achieve these goals. Our optimization strategy dynamically co-optimizes critical parameters at both the powertrain and vehicle levels, including vehicle speed, working tool movements, powertrain dynamics, and engine operations in real-time. To streamline this optimization process, we developed a vehicle model that captures the key dynamics while significantly enhancing computational efficiency. This allows the system to intelligently minimize fuel consumption, all while maintaining or even improving productivity through real-time calculations during various off-road operations. To validate the effectiveness of this energy optimization method, we introduced a state-of-the-art Hardware-in-the-Loop (HIL) testbed. This reconfigurable testbed seamlessly integrates the actual engine with virtual models of the wheel loader's subsystems, allowing for accurate emulation of real-world operational loads and environments. By simulating these conditions, the HIL testbed enables us to evaluate the wheel loader’s performance under diverse working scenarios, ensuring the developed solution is applicable in real-world operations. This testbed proved to be instrumental in validating the optimization algorithms and demonstrating the system's practical effectiveness. During the evaluation and testing phase, we employed the HIL testbed to rigorously assess the energy savings and productivity improvements generated by the optimized system. The results were highly encouraging, revealing that the automated wheel loader achieved over 30% fuel savings compared to traditional, human-operated cycles, with comparable or even enhanced levels of productivity. The insights gained from this HIL-based testing provided critical validation of our approach and highlighted the potential for deploying these optimized autonomous technologies in real-world off-road vehicles.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1993

Thermophysical properties of simple liquid metals: A brief review of theory

In this paper, we review the current theory of the thermophysical properties of simple liquid metals. The emphasis is on thermodynamic properties, but we also briefly discuss the nonequilibrium properties of liquid metals. We begin by defining a 'simple liquid metal' as one in which the valence electrons interact only weakly with the ionic cores, so that the interaction can be treated by perturbation theory. We then write down the equilibrium Hamiltonian of a liquid metal as a sum of five terms: the bare ion-ion interaction, the electron-electron interaction, the bare electron-ion interaction, and the kinetic energies of electrons and ions. Since the electron-ion interaction can be treated by perturbation, the electronic part contributes in two ways to the Helmholtz free energy: it gives a density-dependent term which is independent of the arrangement of ions, and it acts to screen the ion-ion interaction, giving rise to effective ion-ion pair potentials which are density-dependent, in general. After sketching the form of a typical pair potential, we briefly enumerate some methods for calculating the ionic distribution function and hence the Helmholtz free energy of the liquid: monte Carlo simulations, molecular dynamics simulations, and thermodynamic perturbation theory. The final result is a general expression for the Helmholtz free energy of the liquid metal. It can be used to calculate a wide range of thermodynamic properties of simple metal liquids, which we enumerate. They include not only a range of thermodynamic coefficients of both metals and alloys, but also many aspects of the phase diagram, including freezing curves of pure elements and phase diagrams of liquid alloys (including liquidus and solidus curves). We briefly mention some key discoveries resulting from previous applications of this method, and point out that the same methods work for other materials not normally considered to be liquid metals (such as colloidal suspensions, in which the suspended microspheres behave like ions screened by the salt solution in which they are suspended). We conclude with a brief discussion of some non-equilibrium (i.e., transport) properties which can be treated by an extension of these methods. These include electrical resistivity, thermal conductivity, viscosity, atomic self-diffusion coefficients, concentration diffusion coefficients in alloys, surface tension and thermal emissivity. Finally, we briefly mention two methods by which the theory might be extended to non-simple liquid metals: these are empirical techniques (i.e., empirical two- and three-body potentials), and numerical many-body approaches. Both may be potentially applicable to extremely complex systems, such as nonstoichiometric liquid semiconductor alloys.

Stroud, David↗
NASA NTRS1993

Theoretical Study of the H2-ML(+) Binding Energies

The cooperative ligand effects are studied in MLH2(+) and the results are compared to the recent experiments of Kemper et al. The bonding in these compounds is principally electrostatic in origin; however, ligand to metal and metal to ligand donations are important, especially for H2. We show that differences arise among the vanadium, cobalt, and copper complexes which are due to 3d donation to H2. Electron correlation is required to describe the dative interaction, and we find that second order Moller-Plesset perturbation theory (MP2) yields a good description of these systems compared with higher levels of correlation (such as the modified coupled pair functional and coupled cluster approaches) and experiment. However, obtaining quantitative results requires higher levels of theory than MP2.

Maitre, Philippe↗
NASA NTRS2005

Exploring Diverse Data Sets and Developing New Theories and Ideas With Project Integration Architecture

The development of new ideas is the essence of scientific research. This is frequently done by developing models of physical processes and comparing model predictions with results from experiments. With models becoming ever more complex and data acquisition systems becoming more powerful, the researcher is burdened with wading through data ranging in volume up to a level of many terabytes and beyond. These data often come from multiple, heterogeneous sources and usually the methods for searching through it are at or near the manual level. In addition, current documentation methods are generally limited to researchers pen-and-paper style notebooks. Researchers may want to form constraint-based queries on a body of existing knowledge that is, itself, distributed over many different machines and environments and from the results of such queries then spawn additional queries, simulations, and data analyses in order to discover new insights into the problem being investigated. Currently, researchers are restricted to working within the boundaries of tools that are inefficient at probing current and legacy data to extend the knowledge of the problem at hand and reveal innovative and efficient solutions. A framework called the Project Integration Architecture is discussed that can address these desired functionalities.

Benyo, Theresa L.↗
NASA NTRS1965

Contamination analysis and monitoring

"Sterilization" is a term applied to any process or procedure that produces a condition of sterility. Sterility is an absolute concept and refers to the destruction or removal of all life. However, when sterility as an absolute concept is applied to the sterilization of space hardware, it ceases to be operational. Absolute proof of sterility of flight hardware is impossible. Hence, for an operational approach to certification of sterility of space hardware, it is necessary to apply the probability concept. The present report is concerned with the applicability of mathematics to predict the probability of achieving sterility in a complex space hardware system. As such, this approach is concerned with the manipulation of microbiological data rather than mathematical rigor.

contamination↗