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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Secure control systems with application to cyber-physical systems

Control systems are computer-based systems with networked units consisting of sensors, actuators, control processing units, and communication devices. The role of control system is to interact, monitor, and control physical processes. Reactive power control is a fundamental issue in ensuring the security of the power network. It is claimed that Synchronous Condensers (SC) have been used at both distribution and transmission voltage levels to improve stability and to maintain voltages within desired limits under changing load conditions and contingency situations. Performance of PI controller corresponding to various tripping faults are analyzed for SC systems. Most of the eort in protecting these systems has been in protection against random failures or reliability. However, besides failures these systems are subject to various signal attacks for which new analysis are discussed here. When a breach does occur, it is necessary to react in a time commensurate with the physical dynamics of the system as it responds to the attack. Failure to act swiftly enough may result in undesirable, and possibly irreversible, physical eects. Therefore, it is meaningful to evaluate the security of a cyber-physical system, especially to protect it from cyber-attack. Illustrative numerical examples are provided together with an application to the SC systems.

Dong, Jin↗
DOE OSTI2014

Impact of Wireless Power Transfer in Transportation: Future Transportation Enabler, or Near Term Distraction

While the total liquid fuels consumed in the U.S. for transportation of goods and people is expected to hold steady, or decline slightly over the next few decades, the world wide consumption is projected to increase of over 30% according to the Annual Energy Outlook 2014 [1]. The balance of energy consumption for transportation between petroleum fuels and electric energy, and the related greenhouse gas (GHG) emissions produced consuming either, is of particular interest to government administrations, vehicle OEMs, and energy suppliers. The market adoption of plug-in electric vehicles (PEVs) appears to be inhibited by many factors relating to the energy storage system (ESS) and charging infrastructure. Wireless power transfer (WPT) technologies have been identified as a key enabling technology to increase the acceptance of EVs. Oak Ridge National Laboratory (ORNL) has been involved in many research areas related to understanding the impacts, opportunities, challenges and costs related to various deployments of WPT technology for transportation use. Though the initial outlook for WPT deployment looks promising, many other emerging technologies have met unfavorable market launches due to unforeseen technology limitations, sometimes due to the complex system in which the new technology was placed. This paper will summarize research and development (R&D) performed at ORNL in the area of Wireless Power Transfer (WPT). ORNL s advanced transportation technology R&D activities provide a unique set of experienced researchers to assist in the creation of a transportation system level view. These activities range from fundamental technology development at the component level to subsystem controls and interactions to applicable system level analysis of impending market and industry responses and beyond.

dynamic wireless charging↗
DOE OSTI2018

Impacts of Atmospheric Microbiomes Field Campaign Report

Aerosols of microbial origin (e.g., bacteria, fungi, etc.; also known as “atmospheric microbiome”) are ubiquitous in the atmosphere where they can remain suspended for several days to weeks and be transported over long ranges across continents. There is growing recognition that a significant fraction of total particulates suspended in the atmosphere may host microorganisms. Studies indicate that atmospheric microbial transport can play a significant role in processes associated with climate change and atmospheric chemistry. Furthermore, microbe-bearing particles are continually exchanged between ecosystems through global atmospheric transport pathways with the potential to influence the dispersion, composition, and dynamics of microbial communities across diverse ecosystems, including land managed, modified, and used by humans. The impacts of these atmospheric microbiomes on climate are poorly understood. The goal of this work is to establish fundamental new capabilities that enable prediction of atmospheric microbiome dynamics and interactions from source to final deposition. To achieve these objectives, surface soils (0-5 cm depth) were taken from within a 2.5-m radial area near the likely origin of the airborne particulates. In addition, we collected bulk and size-resolved airborne samples from a sampling line located ~4 m above the central U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site from 25/10 to 31/10 in 2016. The SGP site is located in north-central Oklahoma and experiences a broad range of air mass, cloud, and atmospheric state disturbances. The site is surrounded by various agricultural crops and pasture fields. In total, 20 samples were collected over one week in October 2016, and each sample collection period was again approximately 12 hours. At both locations, the samples were collected on PTFE laminated membrane 0.45-μm filters (Sterlitech Corp.) mounted inside a 90-mm single-stage filter assembly (Savillex Inc.). The air was sampled from the sampling inlet located ~4 m height from the ground at total ~0.23 m3/min, which allowed us to sample total ~166 m3 of air per filter. The filter holder assembly and membrane filter holder tips were cleaned with isopropyl alcohol before a new filter was loaded. Blank filters were also collected to understand the background bacterial loading and composition but without operating the filter assembly. Both ambient air collected and blank filters were stored and shipped frozen at ~-20 °C to avoid the contamination and growth of unwanted bacterial communities. In parallel, we also collected the samples using a Micro-Orifice Uniform Deposit Impactor (MOUDI) for microscopy analysis.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

High-pressure combustion of binary fuel sprays

The ultimate objective of this study is to obtain fundamental information relevant to combustion processes that occur in fuel sprays of practical interest at high pressures in internal combustion engines. Since practical fuels are multicomponent and derived from petroleum, the present work involves the model alkane mixture of n-heptane and n-hexadecane. Since burning droplets in sprays can interact with each other, the present work involves investigation of the effects of this interaction on flame shapes and droplet burning times. The small droplets in practical combustion chambers are not significantly influenced by buoyancy. Since such small droplets are difficult to study experimentally, the present work takes advantage of microgravity to lessen buoyancy and enable information about droplet interactions to be obtained by studying larger droplets. The results are intended to provide fundamental understanding that can be used in improving descriptions of practical spray combustion.

Mikami, Masato↗
DOE OSTI2013

Fundamental Studies of Hydroporphyrin Architectures for Solar-Energy Applications

The long-term objective of the Bocian/Holten&Kirmaier/Lindsey research program is to design, synthesize, and characterize tetrapyrrole-based molecular architectures that absorb sunlight, funnel energy, and separate charge with high efficiency and in a manner compatible with current and future solar-energy conversion schemes. The synthetic tetrapyrroles include porphyrins and hydroporphyrins; the latter classes of molecules encompass analogues of the naturally occurring chlorophylls and bacteriochlorophylls (e.g., chlorins, bacteriochlorins, and their derivatives). The attainment of the goals of the research program requires the close interplay of molecular design and synthesis (Lindsey group), static and time-resolved optical spectroscopic measurements (Holten&Kirmaier group), and electrochemical, electron paramagnetic resonance, resonance Raman, and infrared studies, as well as density functional theory calculations (Bocian Group). The proposed research encompasses four interrelated themes: (i) Gain a deeper understanding of the spectral and electronic properties of bacteriochlorins, with a subsidiary aim of learning how to shift the long-wavelength absorption band deeper into the NIR region. Bacteriochlorins bearing diverse substituents, including annulated rings, will be prepared and examined. A set of bacteriochlorins with site-specific isotopic (13C, 2H) substitution patterns about the macrocycle perimeter will be prepared for studies of vibrational and electronic properties. (ii) Examine the underlying electronic origin of panchromatic absorption and excited-state behavior of strongly coupled rylene–tetrapyrrole arrays. The rylene constituents include a perylene-monoimide and a terrylene-monoimide. The tetrapyrroles include porphyrins (meso- or β-linked) and bacteriochlorins (β-linked). The objective is to achieve panchromatic absorption while preserving a viable, long-lived excited singlet state. (iii) Determine the rates of ground-state hole/electron transfer between (hydro)porphyrins as a function of array size, distance between components, linker type, site of linker connection, and frontier molecular orbital composition. (iv) Build upon the results of the aforementioned studies to design, synthesize, and characterize integrated architectures that incorporate a panchromatic absorber and other molecular components that that afford efficient hole/electron migration and long-lived charge separation. Such architectures will be examined on solid substrates to explore the viability of the component parts and processes under application-oriented conditions. Such architectures or successors may prove directly useful for solar-energy conversion systems. An equally important attribute is to serve as a test-bed for successful integration of the requisite properties and processes, some of which require rather weak coupling between constituents, some of which require very strong electronic interactions to elicit the desired behavior, and all of which should be tunable under molecular design control to the extent possible. Collectively, the proposed studies will provide fundamental insights into molecular properties, interactions, and processes relevant to the design of molecular architectures for solar-energy conversion. The accomplishment of these goals is only possible through a highly synergistic program that encompasses molecular design, synthesis, and in-depth characterization.

14 SOLAR ENERGY↗
NASA NTRS1986

Physics through the 1990s: Elementary-particle physics

The volume begins with a non-mathematical discussion of the motivation behind, and basic ideas of, elementary-particle physics theory and experiment. The progress over the past two decades with the quark model and unification of the electromagnetic and weak interactions is reviewed. Existing theoretical problems in the field, such as the origin of mass and the unification of the fundamental forces, are detailed, along with experimental programs to test the new theories. Accelerators, instrumentation, and detectors are described for both current and future facilities. Interactions with other areas of both theoretical and applied physics are presented. The sociology of the field is examined regarding the education of graduate students, the organization necessary in large-scale experiments, and the decision-making process involved in high-cost experiments. Finally, conclusions and recommendations for maintaining US excellence in theory and experiment are given. Appendices list both current and planned accelerators, and present statistical data on the US elementary-particle physics program. A glossary is included.

Source record↗
NASA NTRS1997

Cold-Flow Study of Low Frequency Pressure Instability in Hybrid Rocket Motors

Past experience with hybrid rockets has shown that certain motor operating conditions are conducive to the formation of low frequency pressure oscillations, or flow instabilities, within the motor. Both past and present work in the hybrid propulsion community acknowledges deficiencies in the understanding of such behavior, though it seems probable that the answer lies in an interaction between the flow dynamics and the combustion heat release. Knowledge of the fundamental flow dynamics is essential to the basic understanding of the overall stability problem. A first step in this direction was a study conducted at NASA Marshall Space Flight Center (MSFC), centered around a laboratory-scale two dimensional water flow model of a hybrid rocket motor. Principal objectives included: (1) visualization of flow and measurement of flow velocity distributions: (2) assessment of the importance of shear layer instabilities in driving motor pressure oscillations; (3) determination of the interactions between flow induced shear layers with the mainstream flow, the secondary (wall) throughflow, and solid boundaries; (4) investigation of the interactions between wall flow oscillations and the mainstream flow pressure distribution.

Jenkins, Rhonald M.↗
DOE OSTI2020

Entangled light–matter interactions and spectroscopy

Entangled photons exhibit non-classical light–matter interactions that create new opportunities in materials and molecular science. Notably, in entangled two-photon absorption, the intensity-dependence scales linearly as if only one photon was present. The entangled two-photon absorption cross section approaches but does not match the one-photon absorption cross section. The entangled two-photon cross section also does not follow classical two-photon molecular design motifs. Questions such as these seed the rich but nascent field of entangled light–matter interactions. In this work, we use the experimental developments in entangled photon spectroscopy to outline the current status of the field. Now that the fundamental tools are outlined, it is time to start the exploration of how materials, molecules, and devices can control or utilize interactions with entangled photons.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Character of intermolecular interaction in pyridine-argon complex: Ab initio potential energy surface, internal dynamics, and interrelations between SAPT energy components

The pyridine-Ar (PAr) van der Waals (vdW) complex is studied using a high level ab initio method. Its structure, binding energy, and intermolecular vibrational states are determined from the analytical potential energy surface constructed from interaction energy (IE) values computed at the coupled cluster level of theory with single, double, and perturbatively included triple excitations with the augmented correlation consistent polarized valence double-ζ (aug-cc-pVDZ) basis set complemented by midbond functions. The structure of the complex at its global minimum with Ar at a distance of 3.509 Å from the pyridine plane and shifted by 0.218 Å from the center of mass towards nitrogen agrees well with the corresponding equilibrium structure derived previously from the rotational spectrum of PAr. The PAr binding energy D{sub e} of 392 cm{sup −1} is close to that of 387 cm{sup −1} calculated earlier at the same ab initio level for the prototypical benzene-Ar (BAr) complex. However, under an extension of the basis set, D{sub e} for PAr becomes slightly lower than D{sub e} for BAr. The ab initio vdW vibrational energy levels allow us to estimate the reliability of the methods for the determination of the vdW fundamentals from the rotational spectra. To disclose the character of the intermolecular interaction in PAr, the symmetry-adapted perturbation theory (SAPT) is employed for the analysis of different physical contributions to IE. It is found that SAPT components of IE can be approximately expressed in the binding region by only two of them: the exchange repulsion and dispersion energy. The total induction effect is negligible. The interrelations between various SAPT components found for PAr are fulfilled for a few other complexes involving aromatic molecules and Ar or Ne, which indicates that they are valid for all rare gas (Rg) atoms and aromatics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Peptoid Backbone Flexibilility Dictates Its Interaction with Water and Surfaces: A Molecular Dynamics Investigation

Peptoids are peptide-mimetic biopolymers that are easy-to-synthesize and adaptable for use in drugs, chemical scaffolds, and coatings. However, there is insufficient information about their structural preferences and interactions with the environment in various applications. We conducted a study to understand the fundamental differences between peptides and peptoids using molecular dynamics simulations with semi-empirical (PM6) and empirical (AMBER) potentials, in conjunction with metadynamics enhanced sampling. From studies of single molecules in water and on surfaces, we found that sarcosine (model peptoid) is much more flexible than alanine (model peptide) in different environments. However, the sarcosine and alanine interact similarly with a hydrophobic or a hydrophilic. Finally, this study highlights the conformational landscape of peptoids and the dominant interactions that drive peptoids towards these conformations. ACKNOWLEDGMENT: MD simulations and manuscript preparation were supported by the MS3 (Materials Synthesis and Simulation Across Scales) Initiative at Pacific Northwest National Laboratory (PNNL), a multi-program national laboratory operated by Battelle for the U.S. Department of Energy. CJM was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by the US Department of Energy, Office of Basic Energy Sciences, Biomolecular Materials Program at PNNL. Computing resources were generously allocated by University of Washington's IT department and PNNL's Institutional Computing program. The authors greatly acknowledge conversations with Dr. Kayla Sprenger, Josh Smith, and Dr. Yeneneh Yimer.

alanine↗
DOE OSTI2021

High Energy Physics Network Requirements Review (Final Report, July-October 2020)

Throughout 2020, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for this event included identification of key stakeholders: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents about their relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1994

Composition, Chemistry, and Climate of the Atmosphere. 2: Mean properties of the atmosphere

The atmosphere can be defined as the relatively thin gaseous envelope surrounding the entire planet Earth. It possesses a number of properties related to its physical state and chemical composition, and it undergoes a variety of internal processes and external interactions that can either maintain or alter these properties. Whereas descriptions of the atmosphere's chemical properties form much of the remaining chapters of this book, the present chapter will highlight the atmosphere's gases, and these define its temperature structure. In contrast, the larger-scale motions comprise the winds, the global organization of which is often referred to as the general circulation. The framework of the dynamical and thermodynamical laws, including the three principles of conversation of mass, momentum, and energy, are fundamental in describing both the internal processes of the atmosphere and its external interactions. The atmosphere is not a closed system, because it exchanges all three of these internally conservative quantities across the atmosphere's boundary below and receives input from regions outside it. Thus surface fluxes of moisture, momentum, and heat occur to and from the underlying ocean and land. The atmosphere exchanges very little mass and momentum with space, though it absorbs directly a portion of the solar radiational energy received from above.

Singh, Hanwant B.↗
DOE OSTI2019

DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure

The study of organic molecular crystals under high pressure provides fundamental insight into crystal packing distortions and reveals mechanisms of phase transitions and the crystallization of polymorphs. These solid-state transformations can be monitored directly by analyzing electron charge densities that are experimentally obtained at high pressure. However, restricting the analysis to the featureless electron density does not reveal the chemical bonding nature and the existence of intermolecular interactions. This shortcoming can be resolved by the use of the DORI (density overlap region indicator) descriptor, which is capable of simultaneously detecting both covalent patterns and noncovalent interactions from electron density and its derivatives. Using the biscarbonyl[14]annulene crystal under pressure as an example, we demonstrate how DORI can be exploited on experimental electron densities to reveal and monitor changes in electronic structure patterns resulting from molecular compression. A novel approach based on a flood-fill-type algorithm is proposed for analyzing the topology of the DORI isosurface. This approach avoids the arbitrary selection of DORI isovalues and provides an intuitive way to assess how compression packing affects covalent bonding in organic solids.

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

Lectures on statistical mechanics

Presented here is a transcription of the lecture notes from Professor Allan N. Kaufman’s graduate statistical mechanics course Physics 212A and 212B at the University of California Berkeley from the 1972–1973 academic year. 212A addressed equilibrium statistical mechanics with topics: fundamentals (micro-canonical and sub-canonical ensembles, adiabatic law and action conservation, fluctuations, pressure, and virial theorem), classical fluids and other systems (equation of state, deviations from ideality, virial coefficients and van der Waals potential, canonical ensemble and partition function, quasistatic evolution, grand-canonical ensemble and partition function, chemical potential, simple model of a phase transition, quantum virial expansion, numerical simulation of equations of state, and phase transition), chemical equilibrium (systems with multiple species and chemical reactions, law of mass action, Saha equation, chemical equilibrium including ionization and excited states), and long-range interactions (including Coulomb, dipole, and gravitational interactions, Debye–Hückel theory, and shielding). 212B addressed nonequilibrium statistical mechanics with topics: fundamentals (definitions: realizations, moments, characteristic function, and discrete variables), Brownian motion (Langevin equation, fluctuation–dissipation theorem, spatial diffusion, Boltzmann’s H-theorem), Liouville and Klimontovich equations, Landau equation (derivation, elaboration, and H-theorem, and irreversibility), Markov processes and Fokker–Planck equation (derivations of the Fokker–Planck equation and a master equation), linear response and transport theory (linear Boltzmann equation, linear response theory of Kubo and Mori, relation of entropy production to electrical conductivity, transport relations and coefficients, normal mode solutions of the transport equations, sketch of a generalized Langevin equation method for transport theory), and an introduction to nonequilibrium quantum statistical mechanics.

plasma dynamics↗
DOE OSTI2020

Electrode material–ionic liquid coupling for electrochemical energy storage

The development of new electrolyte and electrode designs and compositions has led to advances in electrochemical energy-storage (EES) devices over the past decade. However, focusing on either the electrode or electrolyte separately is insufficient for developing safer and more efficient EES devices in various working environments, as the energy-storage ability is determined by the ion arrangement and charge and/or electron transfer at the electrode–electrolyte interface. Here, we assess the fundamental physicochemical and electrochemical properties at the electrode–electrolyte interfaces in Li-ion batteries and supercapacitors using safe and electrochemically stable ionic-liquid electrolytes. Key reactions and interactions at the electrode–electrolyte interface, as well as geometric constraints and temperature effects, are highlighted. Building on the fundamental understanding of interfacial processes, we suggest potential strategies for designing stable and efficient ionic-liquid-based EES devices with emerging electrode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Investigating the p--π ± and p--p--π ± dynamics with femtoscopy in pp collisions at $\sqrt{s}$ = 13 TeV

The interaction between pions and nucleons plays a crucial role in hadron physics. It represents a fundamental building block of the low-energy QCD dynamics and is subject to several resonance excitations. This work studies the p--π ± dynamics using femtoscopic correlations in high-multiplicity pp collisions at $\sqrt{s}$ = 13 TeV measured by ALICE at the LHC. As the final-state interaction between protons and pions is well constrained by scattering experiments and the study of pionic hydrogen, the results give access to information on the particle-emitting source in pp collisions using the femtoscopy methods. The scaling of the source size of primordial protons and pions against their pair transverse mass is extracted. The results are compared with the source sizes studied with p–p, p--K + , and π ± –π ± pairs by ALICE in the same collision system and are found to be in agreement for the different particle pairs. This reinforces recent findings by ALICE of a common emission source for all hadron-pairs in pp collisions at LHC energies. Furthermore, the p--p--π ± systems are studied using three-particle femtoscopy in pp collisions at TeV. The presence of three-body effects is analyzed utilizing the cumulant expansion method. In this formalism, the known two-body interactions are subtracted in order to isolate the three-body effects. For both, p--p--π + and p--p--π – , a non-zero cumulant is found, indicating effects beyond pairwise interactions. These results give information on the coupling of the pion to multiple nucleons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

How can we make plants grow faster? A source–sink perspective on growth rate

Growth is a major component of fitness in all organisms, an important mediator of competitive interactions in plant communities, and a central determinant of yield in crops. Understanding what limits plant growth is therefore of fundamental importance to plant evolution, ecology, and crop science, but each discipline views the process from a different perspective. This review highlights the importance of source–sink interactions as determinants of growth. The evidence for source- and sink-limitation of growth, and the ways in which regulatory molecular feedback systems act to maintain an appropriate source:sink balance, are first discussed. Evidence clearly shows that future increases in crop productivity depend crucially on a quantitative understanding of the extent to which sources or sinks limit growth, and how this changes during development. In addition, to identify bottlenecks limiting growth and yield, a holistic view of growth is required at the whole-plant scale, incorporating mechanistic interactions between physiology, resource allocation, and plant development. Such a holistic perspective on source–sink interactions will allow the development of a more integrated, whole-system level understanding of growth, with benefits across multiple disciplines.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Integrative molecular and microanalytical studies of syntrophic partnerships linking C, S, and N cycles in anoxic environments

Syntrophy and other forms of symbiotic associations between microorganisms are central to carbon and nutrient cycling in the environment. However, the inherent interdependence of these interactions, dynamic behavior, and frequent existence at thermodynamic limits has hindered our ability to both recognize syntrophic partnerships in nature and effectively study their behavior in the laboratory. To characterize and understand the underlying factors influencing syntrophic associations within complex communities requires a suite of tools that extend beyond basic molecular identification and cultivation. This specifically includes methods that preserve the natural spatial relationships between metabolically interdependent microorganisms while allowing downstream geochemical and/or molecular analysis. With support from this award, we have developed and applied new combinations of molecular, microscopy, and stable isotope-based methodologies that enable the characterization of fundamental links between phylogenetically-identified microorganisms and their specific metabolic activities and interactions in the environment. Through the coupling of fluorescence in situ hybridization (FISH) with cell capture and targeted metagenomics (Magneto-FISH), and FISH + secondary ion mass spectrometry (i.e. FISH-SIMS or FISH-nanoSIMS), we have defined new microbial interactions and the ecophysiology of anaerobic microorganisms involved in environmental methane cycling.

03 NATURAL GAS↗