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DOE OSTI2025

Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives

The ability to predict the handling sensitivity of new organic energetic materials has been a longstanding goal. We report the synthesis and characterization of six new nitropicramide energetic materials with mixed functional groups that mimic known explosives such as nitroglycerin, erythritol tetranitrate (ETN), and pentaerythritol tetranitrate (PETN). The molecules have been studied theoretically using quantum molecular dynamics (QMD) simulations and density functional theory (DFT) calculations to identify the weakest bond in the reactants - the trigger-linkages - which control handling sensitivity, and to quantify their specific enthalpies of explosion. In good accord with the drop weight impact sensitivity data, our calculations predict that the sensitivities of the molecules are very similar owing to the small variations of the energy output and rates of trigger linkage rupture. In addition, both the QMD and DFT calculations point to the nitropicramide N–NO 2 bonds as the trigger linkages rather than the more typical O–NO 2 bonds. We propose that the switch of the trigger linkage from the nitrate esters to the nitramine groups arises from the strongly electron withdrawing character of the adjacent trinitrobenzene groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2002

Functional Groups Based on Leaf Physiology: Are they Spatially and Temporally Robust?

The functional grouping hypothesis, which suggests that complexity in function can be simplified by grouping species with similar responses, was tested in the Florida scrub habitat. Functional groups were identified based on how species in fire maintained FL scrub function in terms of carbon, water and nitrogen dynamics. The suite of physiologic parameters measured to determine function included both instantaneous gas exchange measurements obtained from photosynthetic light response curves and integrated measures of function. Using cluster analysis, five distinct physiologically-based functional groups were identified. Using non-parametric multivariate analyses, it was determined that these five groupings were not altered by plot differences or by the three different management regimes; prescribed burn, mechanically treated and burn, and fire-suppressed. The physiological groupings also remained robust between the two years 1999 and 2000. In order for these groupings to be of use for scaling ecosystem processes, there needs to be an easy-to-measure morphological indicator of function. Life form classifications were able to depict the physiological groupings more adequately than either specific leaf area or leaf thickness. THe ability of life forms to depict the groupings was improved by separating the parasitic Ximenia americana from the shrub category.

Foster, Tammy E.↗

DOE OSTI2026

Current-Driven Symmetry Breaking and Spin–Orbit Polarization in Chiral Wires

The spin dynamics of electrons in chiral molecular systems remains a topic of intense interest, particularly regarding whether geometric chirality inherently induces spin polarization in current-carrying electrons. In this work, we employ ab initio real-time time-dependent density functional theory (rt-TDDFT) to directly simulate the interplay among charge current, spin, and orbital. This realtime tracking extends beyond perturbative treatments, and we analyze how nonequilibrium currents effectively lift the symmetry constraints of screw rotation and time-reversal symmetry. We find that the emergence of spin and orbital angular momenta is dynamically correlated with a concomitant loss of translational (linear) momentum, which we interpret as an intrinsic consequence of current-driven symmetry lowering. The implications of this mechanism for chirality-induced spin selectivity and spintronics device design are discussed.

chiral wire↗

DOE OSTI2025

A Unified Perspective on Poincaré and Galilei Relativity: II. General Relativity: A. Kinematics

Building on the first paper in this series (Paper I), a unified perspective on Poincaré and Galilei physics in a 5-dimensional spacetime setting is further pursued through a consideration of the kinematics of general relativity, with the gravitational dynamics to be addressed separately. The metric of the 5-dimensional affine spacetimes governed by the Bargmann groups considered in Paper I (central extensions of the Poincaré and Galilei groups) is generalized to curved spacetime by extending the usual 1 + 3 (traditionally ‘3 + 1’) formalism of general relativity on 4-dimensional spacetime to a 1 + 3 + 1 formalism, whose spacetime kinematics is shown to be consistent with that of the usual 1 + 3 formalism. Spacetime tensor laws governing the motion of an elementary classical material particle and the dynamics of a simple fluid are presented, along with their 1 + 3 + 1 decompositions; these reference the foliation of spacetime in a manner that partially reverts the Einstein perspective (accelerated fiducial observers, and geodesic material particles and fluid elements) to a Newton-like perspective (geodesic fiducial observers, and accelerated material particles and fluid elements subject to a gravitational force). These spacetime laws of motion for particles and fluids also suggest that a strong-field Galilei general relativity would involve a limit in which not only 𝑐 → ∞ but also 𝐺 → ∞ , such that 𝐺/𝑐 2 remains constant.

Bargmann group↗

DOE OSTI2024

Accelerated Aging of a Polymer-Supported Molecular Amine Direct Air Capture Sorbent: Experiments and Theory

Amine-functionalized polymer sorbents are the preferred materials for CO2 extraction from air (DAC) due to their “high” CO2 adsorption capacity and selectivity at ultra-dilute conditions. The lifetime of adsorbents is a key property of equal importance as adsorption capacity, selectivity and kinetics with direct impact on the economics of commercial-scale operations. Therefore, a detailed investigation into the contributing factors (e.g. temperature, humidity) as well as the mechanism of amine degradation is vital for the development of amines with long-term stability. Herein, in situ attenuated total reflection (ATR) Fourier transform infrared spectroscopy (FTIR) is used to monitor the real time changes to amine-based sorbents under systematically varied conditions. In addition, IR spectra obtained from density functional theory molecular dynamics are used to obtain mechanistic insights pertaining to the degradation of amine groups in DAC sorbents.

Muldoon, Patrick↗

NASA NTRS1977

Atmospheric model development in support of SEASAT. Volume 5: Test results with fine-mesh (187 by 187 by 10) model

A model (187 x 187 grid with ten layers) was used to produce a 24 hour forecast using initial conditions for 1200Z, 20 May 1976. This forecast was compared to its five layer counterpart on the 187 x 187 grid and to its 63 x 63 coarse mesh counterpart having the same number of layers. Increases in horizontal resolution lead to significant differences in a one day forecast. Many of these differences represent improvements. Increases in vertical resolution tend to produce smaller impacts on the forecast, except in the region near and above the tropopause. The effect on forecast precipitation is in the 10-20% range, as opposed to the 100% for increases in the horizontal resolution. With respect to model energetics (kinetic energy; square vorticity; square divergence), the model tend to group according to horizontal resolution. The time variations of these parameters show that dynamic initialization is needed to: (1) minimize initialization shock; and (2) stabilize the model context to prevent wash-out of small scale information during the adjustment period (first 6-12 forecast hours).

Kesel, P. G.↗

NASA NTRS1985

Lambda Point Equipment

A compilation of the active research tasks as of the end of the fiscal year 1984 of the Microgravity Science and Applications Program, NASA-Office of Space Science and Applications, involving several NASA centers and other organizations is presented. The purpose is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. An introductory description of the program, strategy and overall goal; identification of the organizational structures and people involved; and a description of each research task, together with a list of recent publications is presented. The tasks are grouped into six categories: Electronic Materials; Solidification of Metals, Alloys, and Composites; Fluid Dynamics and Transports; Biotechnology; Glasses and Ceramics; and Combustion.

Lipa, J. A.↗

NASA NTRS1986

CELSS science needs

Questions and areas of study that need to be persued in order to develope a Controlled Ecological Life Support System are posed. Research topics needing attention are grouped under various leadings: ecology, genetics, plant pathology, cybernetics, chemistry, computer science, fluid dynamics, optics, and solid-state physics.

Rummel, J. D.↗

NASA NTRS1986

Design and initial testing of a one-bladed 30-meter-diameter rotor on the NASA/DOE mod-O wind turbine

The concept of a one-bladed horizontal-axis wind turbine has been of interest to wind turbine designers for many years. Many designs and economic analyses of one-bladed wind turbines have been undertaken by both United States and European wind energy groups. The analyses indicate significant economic advantages but at the same time, significant dynamic response concerns. In an effort to develop a broad data base on wind turbine design and operations, the NASA Wind Energy Project Office has tested a one-bladed rotor at the NASA/DOE Mod-O Wind Turbine Facility. This is the only known test on an intermediate-sized one-bladed rotor in the United States. The 15.2-meter-radius rotor consists of a tip-controlled blade and a counterweight assembly. A rigorous test series was conducted in the Fall of 1985 to collect data on rotor performance, drive train/generator dynamics, structural dynamics, and structural loads. This report includes background information on one-bladed rotor concepts, and Mod-O one-bladed rotor test configuration, supporting design analysis, the Mod-O one-blade rotor test plan, and preliminary test results.

Corrigan, R. D.↗

NASA NTRS1989

Advances in photographic X-ray imaging for solar astronomy

The technique of obtaining quantitative data from high resolution soft X-ray photographic images produced by grazing incidence optics was successfully developed to a high degree during the Solar Research Sounding Rocket Program and the S-054 X-Ray Spectrographic Telescope Experiment Program on Skylab. Continued use of soft X-ray photographic imaging in sounding rocket flights of the High Resolution Solar Soft X-Ray Imaging Payload has provided opportunities to further develop these techniques. The developments discussed include: (1) The calibration and use of an inexpensive, commercially available microprocessor controlled drum type film processor for photometric film development; (2) The use of Kodak Technical Pan 2415 film and Kodak SO-253 High Speed Holographic film for improved resolution; and (3) The application of a technique described by Cook, Ewing, and Sutton for determining the film characteristics curves from density histograms of the flight film. Although the superior sensitivity, noise level, and linearity of microchannel plate and CCD detectors attracts the development efforts of many groups working in soft X-ray imaging, the high spatial resolution and dynamic range as well as the reliability and ease of application of photographic media assures the continued use of these techniques in solar X-ray astronomy observations.

Moses, J. Daniel↗

NASA NTRS1989

Advances in photographic X-ray imaging for solar astronomy

The technique of obtaining quantitative data from high resolution soft X-ray photographic images produced by grazing incidence optics was successfully developed to a high degree during the AS&E Solar Research Sounding Rocket Program and the S-054 X-Ray Spectrographic Telescope Experiment Program on Skylab. Continued use of soft X-Ray photographic imaging in sounding rocket flights of the AS&E High Resolution Solar Soft X-Ray Imaging Payload has provided opportunities to further develop these techniques. The developments discussed include: (1) the calibration and use of an inexpensive, commercially available microprocessor controlled drum type film processor for photometric film development, (2) the use of Kodak Technical Pan 2415 film and Kodak SO-253 High Speed Holographic film for improved resolution, and (3) the application of a technique described by Cook, Ewing, and Sutton (1988) for determining the film characteristics curves from density histograms of the flight film. Although the superior sensitivity, noise level, and linearity of microchannel plate and CCD detectors attracts the development efforts of many groups working in soft X-ray imaging, the high spatial resolution and dynamic range as well as the reliability and ease of application of photographic media assures the continued use of these techniques in solar X-ray astronomy observations.

Moses, D.↗

NASA NTRS1990

FIRE Science Results 1988

FIRE (First ISCCP Regional Experiment) is a U.S. cloud-radiation program that seeks to address the issues of a basic understanding and parameterizations of cirrus and marine stratocumulus cloud systems and ISCCP data products. The papers describe research analysis of data collected at the 1986 Cirrus Intensive Field Observations (IFO), the 1987 Marine Stratocumulus IFO, and the Extended Time Observations. The papers are grouped into sessions on satellite studies, lidar/radiative properties/microphysical studies, radiative properties, thermodynamic and dynamic properties, case studies, and large scale environment and modeling studies.

Mcdougal, David S.↗

NASA NTRS1992

The tropospheric abundances of NH3 and PH3 in Jupiter's Great Red Spot, from Voyager IRIS observations

The tropospheric abundances of NH3 and PH3 in Jupiter's Great Red Spot (GRS) are presently determined on the basis of a group of Voyager IRIS spectra, and compared with those of the surrounding South Tropical Zone (STZ) obtained from another two groups of IRIS spectra, in order to characterize the GRS's chemistry and dynamics. Although the GRS is believed to be a region of strong vertical transport, NH3 depletion is surprisingly found to occur below the tropopause within the GRS. Since one of the STZ's selections has a temperature-pressure profile similar to that of the GRS below the 300 mbar level, condensation cannot explain the low NH3 abundance in the GRS.

Griffith, Caitlin A.↗

NASA NTRS1994

Comets disguised as asteroids

Comets and asteroids were previously thought to be two completely distinct groups of solar-system objects, with marked contrast in both physical and dynamical characteristics. A comet is operationally defined by the presence of a coma, while an asteroid has no coma. However, recent observations have shown that comets can sometimes take on asteroidal appearances and even asteroidal photometric behavior. Thus the observational distinction between comets and asteroids is not as clear cut as it once seemed. The possible presence of comets hidden among known asteroids forces us to reconsider the criterion by which we distinguish comets from asteroids and possibly our inventory of both comet and asteroid populations.

Luu, Jane↗

NASA NTRS2002

A Facility and Architecture for Autonomy Research

Autonomy is a key enabling factor in the advancement of the remote robotic exploration. There is currently a large gap between autonomy software at the research level and software that is ready for insertion into near-term space missions. The Mission Simulation Facility (MST) will bridge this gap by providing a simulation framework and suite of simulation tools to support research in autonomy for remote exploration. This system will allow developers of autonomy software to test their models in a high-fidelity simulation and evaluate their system's performance against a set of integrated, standardized simulations. The Mission Simulation ToolKit (MST) uses a distributed architecture with a communication layer that is built on top of the standardized High Level Architecture (HLA). This architecture enables the use of existing high fidelity models, allows mixing simulation components from various computing platforms and enforces the use of a standardized high-level interface among components. The components needed to achieve a realistic simulation can be grouped into four categories: environment generation (terrain, environmental features), robotic platform behavior (robot dynamics), instrument models (camera/spectrometer/etc.), and data analysis. The MST will provide basic components in these areas but allows users to plug-in easily any refined model by means of a communication protocol. Finally, a description file defines the robot and environment parameters for easy configuration and ensures that all the simulation models share the same information.

Pisanich, Greg↗

NASA NTRS2004

Infrared Avionics Signal Distribution Using WDM

Supporting analog RF signal transmission over optical fibers, this project demonstrates a successful application of wavelength division multiplexing (WDM) to the avionics environment. We characterize the simultaneous transmission of four RF signals (channels) over a single optical fiber. At different points along a fiber optic backbone, these four analog channels are sequentially multiplexed and demultiplexed to more closely emulate the conditions in existing onboard aircraft. We present data from measurements of optical power, transmission response (loss and gain), reflection response, group delay that defines phase distortion, signal-to-noise ratio (SNR), and dynamic range that defines nonlinear distortion. The data indicate that WDM is very suitable for avionics applications.

Atiquzzaman, Mohammed↗

NASA NTRS2019

Volatile Element Depletion of the Moon – The Roles of Pre-Cursors, Post-Impact Disk Dynamics, and Core Formation

The compositional and isotopic similarity of Earth’s primitive upper mantle (PUM) and the Moon has bolstered the idea that the Moon was derived from the proto-Earth, but the Moon’s inventory of volatile lithophile elements – Na, K, Rb and Cs – are lower than in Earth’s PUM by a factor of 4 to 5. The abundances of fourteen other volatile elements exhibit siderophile behavior (volatile siderophile elements or VSE; P, As, Cu, Ag, Sb, Ga, Ge, Bi, Pb, Zn, Sn, Cd, In, and Tl) that could be used to evaluate whether the Moon was derived from the proto-Earth, and whether their depletion can be attributed to volatility or core formation. In this study, newly available core-mantle partitioning data are used, together with bulk Moon compositions, protolunar disk dynamics modelling to test the hypothesis that the Moon was derived from PUM-like material. At lunar core formation conditions, As, Sb, Ag, Ge, Bi, Sn are siderophile, whereas P, Cu, Ga, Pb, Zn, Cd, In and Tl are all weakly siderophile or lithophile. Most of the VSE can be explained by a combination of known processes – pre-cursor volatile depletion, melt-gas dynamics and equilibria in the protolunar disk, and core formation. Explaining this whole group of volatile elements may require a combination of mixing and separation of the newly formed Moon from remnant gas rich in the highest volatility VSEs. This large group of volatile elements informs a wide temperature range and offers a powerful test of melt-gas segregation mechanisms in the protolunar disk and lunar formation hypotheses.

Righter, K.↗

NASA NTRS2012

How Does the Electron Dynamics Affect the Global Reconnection Rate

The question of whether the microscale controls the macroscale or vice-versa remains one of the most challenging problems in plasmas. A particular topic of interest within this context is collisionless magnetic reconnection, where both points of views are espoused by different groups of researchers. This presentation will focus on this topic. We will begin by analyzing the properties of electron diffusion region dynamics both for guide field and anti-parallel reconnection, and how they can be scaled to different inflow conditions. As a next step, we will study typical temporal variations of the microscopic dynamics with the objective of understanding the potential for secular changes to the macroscopic system. The research will be based on a combination of analytical theory and numerical modeling.

Hesse, Michael↗