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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Entropy and charge in molecular evolution--the case of phosphate

Biopoesis, the creation of life, implies molecular evolution from simple components, randomly distributed and in a dilute state, to form highly organized, concentrated systems capable of metabolism, replication and mutation. This chain of events must involve environmental processes that can locally lower entropy in several steps; by specific selection from an indiscriminate mixture, by concentration from dilute solution, and in the case of the mineral-induced processes, by particular effectiveness in ordering and selective reaction, directed toward formation of functional biomolecules. Numerous circumstances provide support for the notion that negatively charged molecules were functionally required and geochemically available for biopoesis. Sulfite ion may have been important in bisulfite complex formation with simple aldehydes, facilitating the initial concentration by sorption of aldehydes in positively charged surface active minerals. Borate ion may have played a similar, albeit less investigated role in forming charged sugar complexes. Among anionic species, oligophosphate ions and charged phosphate esters are likely to have been of even more wide ranging importance, reflected in the continued need for phosphate in a proposed RNA world, and extending its central role to evolved biochemistry. Phosphorylation is shown to result in selective concentration by surface sorption of compounds, otherwise too dilute to support condensation reactions. It provides protection against rapid hydrolysis of sugars and, by selective concentration, induces the oligomerization of aldehydes. As a manifestation of life arisen, phosphate already appears in an organic context in the oldest preserved sedimentary record.

NASA Discipline Exobiology↗
NASA NTRS1991

Impacts and the early environment and evolution of the terrestrial planets

It is now admitted that very large impacts may have played an important role in the accretion of the terrestrial planets. The size-frequency distribution of these impacts fits the formal definition of a catastrophic process: the mass and momentum added by a rare large impact is larger than that added by all the more frequent small impacts combined. The effects of such large impacts on the thermal states of growing planets is discussed. At a later stage of planetary evolution, the smaller impacts during late heavy bombardment may have played an important role in stripping the original gaseous atmospheres of the planets and in segregating condensible substances from volatile ones.

Melosh, H. J.↗
DOE OSTI2023

Interface Coating Design for Dynamic Voltage Stability of Solid‐State Batteries

Abstract Intrinsic or interface thermodynamic voltage windows of solid electrolytes are often narrower than the operational voltage range needed by a full battery, thus various interface decomposition reactions can happen in a practical solid‐state battery. Experimentally, it is found that a proper battery design utilizing the reactions can lead to a dynamic evolution from interface instability to stability, giving the so‐called dynamic voltage stability for advanced battery performance. Here, first the state‐of‐the‐art understanding is articulated about how the dynamic voltage stability should be interpreted in physical picture and treated in computation, emphasizing the potential importance of nonequilibrium reaction pathways. The constrained ensemble computational approach is further applied across most types of solid‐state electrolytes to systematically evaluate and compare their dynamic stability voltage windows in response to the mechanical constriction effect. High‐throughput calculations are used to search for coating materials for different interfaces between sulfide, halide, and oxide electrolytes and typical cathode materials with enhanced dynamic voltage stability. A comparison with experiment is given to highlight the value of these computational predictions.

Wang, Yichao↗
DOE OSTI2015

New lifetime measurements in Pd 109 and the onset of deformation at N = 60

We measured several new subnanosecond lifetimes in 109 Pd using the fast-timing βγ γ (t ) method. Fission fragments of the A = 109 mass chain were produced by bombarding natural uranium with 30 MeV protons at the Jyväskylä Ion Guide Isotope Separator On-Line (IGISOL) facility. We obtained lifetimes for excited states in 109 Pd populated following β decay of 109 Rh. The new lifetimes provide some insight into the evolution of nuclear structure in this mass region. In particular, the distinct structure of the two low-lying 7/2+ states occurring systematically across the Pd isotopic chain is supported by the new lifetime measurements. Finally, the available nuclear data indicate a sudden increase in deformation at N = 60 which is related to the strong p-n interaction between πg 9/2 and νg 7/2 valence nucleons expected in this region.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

The Physics of Core-Collapse Supernovae: Explosion Mechanism and Explosive Nucleosynthesis

Recent developments in multi-dimensional simulations of core-collapse supernovae have considerably improved our understanding of this complex phenomenon. In addition to that, one-dimensional (1D) studies have been employed to study the explosion mechanism and its causal connection to the pre-collapse structure of the star, as well as to explore the vast parameter space of supernovae. Nonetheless, many uncertainties still affect the late stages of the evolution of massive stars, their collapse, and the subsequent shock propagation. In this review, we will briefly summarize the state-of-the-art of both 1D and 3D simulations and how they can be employed to study the evolution of massive stars, supernova explosions, and shock propagation, focusing on the uncertainties that affect each of these phases. Finally, we will illustrate the typical nucleosynthesis products that emerge from the explosion.

Boccioli, Luca (ORCID:000000024819310X)↗
DOE OSTI2018

Current-Induced Skyrmion Generation through Morphological Thermal Transitions in Chiral Ferromagnetic Heterostructures

Magnetic skyrmions promise breakthroughs in future memory and computing devices due to their inherent stability and small size. Their creation and current driven motion have been recently observed at room temperature, but the key mechanisms of their formation are not yet well-understood. Here it is shown that in heavy metal/ferromagnet heterostructures, pulsed currents can drive morphological transitions between labyrinth-like, stripe-like, and skyrmionic states. Using high-resolution X-ray microscopy, the spin texture evolution with temperature and magnetic field is imaged and it is demonstrated that with transient Joule heating, topological charges can be injected into the system, driving it across the stripe-skyrmion boundary. The observations are explained through atomistic spin dynamic and micromagnetic simulations that reveal a crossover to a global skyrmionic ground state above a threshold magnetic field, which is found to decrease with increasing temperature. It is demonstrated how by tuning the phase stability, one can reliably generate skyrmions by short current pulses and stabilize them at zero field, providing new means to create and manipulate spin textures in engineered chiral ferromagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Impacts of Solar Land Availability on the Evolution of the U.S. Power System

Long-term planning scenarios of the United States electricity system have not identified solar resource availability to be a limiting factor in how much solar capacity might be deployed. However, there are some smaller regions where siting challenges indicate solar deployment could be limited by solar resource availability. In this work, we use geospatial modeling tools to develop a restrictive siting scenario that significantly reduces the amount and location of utility-scale solar resources. We use that restrictive siting regime, along with other previously defined siting scenarios, to examine how solar resource availability impacts the buildout of the electricity system using business-as-usual and decarbonization futures in a national-scale capacity expansion model. The restrictive siting scenario uses observed siting pressures to exclude many types of land on which development is allowed today and results in a greater than 90% reduction in solar resource potential-to approximately 3000 GW. Even with this drastic reduction, utility-scale solar capacity grows by more than 3 times through 2050 in the business-as-usual scenarios and by more than 6 times in the decarbonization scenarios, though less solar is deployed in scenarios with lower available solar resource. We quantify how system costs and generation mixes change as solar resource availability changes.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

Satellite Conjunction Assessment, Risk Analysis and Collision Avoidance Best Practices: The History, Evolution and Opportunities

Since Explorer 1 was launched on January 31, 1958, the United States (U.S.) has reaped the benefits of space exploration. New markets and new technologies have spurred the economy and changed lives in many ways across the national security, civil, and commercial sectors. Space technologies and space-based capabilities now provide global communications, navigation and timing, weather forecasting, and more. Space exploration also presents challenges that impact not only the U.S. but also its allies and other partners. A significant increase in the volume and diversity of activity in space means that it is becoming increasingly congested. Emerging commercial ventures such as satellite servicing, in-space manufacturing, and tourism as well as new technologies enabling small satellites and large constellations of satellites present serious challenges for safely and responsibly using space in a stable, sustainable manner. To meet these challenges, the U.S. seeks to improve global awareness of activity in space by publicly sharing flight safety-related information and by coordinating its own on-orbit activity in a safer, more responsible manner. It seeks to bolster stability and reduce current and future operational on-orbit risks so that space is sustained for future generations. To this end, new and better Space Situational Awareness (SSA) capabilities are needed to keep pace with the increased congestion, and the U.S. seeks to create a dynamic environment that encourages and rewards commercial providers who improve these capabilities. The National Aeronautics and Space Administration (NASA) Spacecraft Conjunction Assessment and Collision Avoidance Best Practices Handbook reflects how NASA currently operates, which has evolved over time. Consideration is given to important topics such as spacecraft and constellation design; spacecraft “trackability;” pre-launch preparation and early launch activities; on-orbit collision avoidance; and automated trajectory guidance and maneuvering. This talk aims to present examples of responsible practices for spacecraft Owners/Operators (O/O) to consider for lowering collision risks and operating safely in space (from LEO and beyond) in a stable and sustainable manner. As technology and innovation continues to improve upon existing capabilities, what kind of new challenges are presented in the SSA community? Can space exploration and commercial ventures thrive while keeping paramount the safety and protection of the space environment? What are the challenges and opportunities that need to be addressed and considered for space situational awareness in Cis-Lunar Space? It may prove useful for entities offering, or intending to offer, SSA or Conjunction Assessment (CA) services to consider such examples of responsible practices to protect the space environment for future use by all.

Collision Avoidance↗
DOE OSTI2016

Time evolution of electron waves in graphene superlattices

The time evolution of electron waves in graphene superlattices is studied using both microscopic and “effective medium” formalisms. The numerical simulations reveal that in a wide range of physical scenarios it is possible to neglect the granularity of the superlattice and characterize the electron transport using a simple effective Hamiltonian. It is verified that as general rule the continuum approximation is rather accurate when the initial state is less localized than the characteristic spatial period of the superlattice. This property holds even when the microsocopic electric potential has a strong spatial modulation or in presence of interfaces between different superlattices. Detailed examples are given both of the time evolution of initial electronic states and of the propagation of stationary states in the context of wave scattering. The theory also confirms that electrons propagating in tailored graphene superlattices with extreme anisotropy experience virtually no diffraction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

$β^-$ decay of $T_z$ = +$\frac{11}{2}$ isotopes $\mathrm{^{37}Al}$ and $\mathrm{^{39}Si}$: Understanding Gamow-Teller strength distribution in neutron-rich nuclei

$β^-$ decay of $T_z$ = +$\frac{11}{2}$ nuclei $\mathrm{^{37}Al}$ and $\mathrm{^{39}Si}$ was studied to obtain information about excited states in the daughter and granddaughter nuclei. New information on excited states has been obtained for $\mathrm{^{37,39}P}$ whereas level schemes for $\mathrm{^{37}Si}$ and $\mathrm{^{37,39}S}$ were confirmed and expanded on as compared to the most recent investigations. For the nuclei studied, the valence proton and neutron occupy different major shells with opposite parities, hence, the $β^-$ decay preferentially and primarily populates core-excited $1p1h$ intruder states with a parity opposite to the ground state of the daughter nucleus. These low-lying intruder states shed light on the $N = 20$ shell gap and its evolution with neutron number. The $β^-$ decay of very neutron-rich nuclei also illustrates how the Gamow-Teller (GT) strength distribution changes with neutron excess. Comparing $β^-$ decay of $\mathrm{^{37,39}Si}$ presented here with $\mathrm{^{38,40}Si}$ from a previous study, we clearly see an even-odd effect in the GT strength distribution with the decay from even-even nuclei showing strong low-lying strength whereas for the odd $A$ being very fragmented. Finally, configuration interaction shell-model calculations with the state-of-art SDPFSDG-MU effective interaction were performed to understand the structure of the $1p1h$ states and explore the GT strength distribution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Pathways from a chiral superconductor to a composite Fermi liquid

Recent experiments have reported chiral time-reversal broken superconductivity in n-layer rhombohedral graphene for n=4,5,6. Introducing a moiré potential by alignement with a hexagonal boron nitride substrate suppresses the superconductivity but leads instead to various fractional quantum anomalous Hall phenomena. Motivated by these observations, we consider the fate of the phase transition between (a chiral) Landau Fermi liquid (LFL) metal and a Composite Fermi Liquid (CFL) metal in the presence of attractive interactions. These are parent states, respectively, for the superconductor and the fractional quantum Hall states. For weak attractive interactions, the LFL is usually unstable to superconductivity while the CFL is stable. This raises the possibility of a direct continuous phase transition between the chiral superconductor and the CFL. However, we show that generically the LFL close to the transition to the CFL is stable against superconductivity. Furthermore the evolution between the CFL and chiral superconductor goes through an intermediate stable LFL phase for weak attractive interactions. With stronger interactions, the evolution can instead go through a non-Abelian paired quantum Hall state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone

Computer simulation has long been an essential partner of ultrafast experiments, allowing the assignment of microscopic mechanistic detail to low-dimensional spectroscopic data. However, the ability of theory to make a priori predictions of ultrafast experimental results is relatively untested. Herein, as a part of a community challenge, we attempt to predict the signal of an upcoming ultrafast photochemical experiment using state-of-the-art theory in the context of preexisting experimental data. Specifically, we employ ab initio Ehrenfest with collapse to a block mixed quantum–classical simulations to describe the real-time evolution of the electrons and nuclei of cyclobutanone following excitation to the 3s Rydberg state. The gas-phase ultrafast electron diffraction (GUED) signal is simulated for direct comparison to an upcoming experiment at the Stanford Linear Accelerator Laboratory. Following initial ring-opening, dissociation via two distinct channels is observed: the C3 dissociation channel, producing cyclopropane and CO, and the C2 channel, producing CH2CO and C2H4. Direct calculations of the GUED signal indicate how the ring-opened intermediate, the C2 products, and the C3 products can be discriminated in the GUED signal. We also report an a priori analysis of anticipated errors in our predictions: without knowledge of the experimental result, which features of the spectrum do we feel confident we have predicted correctly, and which might we have wrong?

Chemistry↗
DOE OSTI2023

Impact of phase state and non-ideal mixing on equilibration timescales of secondary organic aerosol partitioning

Abstract. Evidence has accumulated that secondary organic aerosols (SOAs) exhibit complex morphologies with multiple phases that can adopt amorphous semisolid or glassy phase states. However, experimental analysis and numerical modeling on the formation and evolution of SOA still often employ equilibrium partitioning with an ideal mixing assumption in the particle phase. Here we apply the kinetic multilayer model of gas–particle partitioning (KM-GAP) to simulate condensation of semi-volatile species into a core–shell phase-separated particle to evaluate equilibration timescales of SOA partitioning. By varying bulk diffusivity and the activity coefficient of the condensing species in the shell, we probe the complex interplay of mass transfer kinetics and the thermodynamics of partitioning. We found that the interplay of non-ideality and phase state can impact SOA partitioning kinetics significantly. The effect of non-ideality on SOA partitioning is slight for liquid particles but becomes prominent in semisolid or solid particles. If the condensing species is miscible with a low activity coefficient in the viscous shell phase, the particle can reach equilibrium with the gas phase long before the dissolution of concentration gradients in the particle bulk. For the condensation of immiscible species with a high activity coefficient in the semisolid shell, the mass concentration in the shell may become higher or overshoot its equilibrium concentration due to slow bulk diffusion through the viscous shell for excess mass to be transferred to the core phase. Equilibration timescales are shorter for the condensation of lower-volatility species into semisolid shell; as the volatility increases, re-evaporation becomes significant as desorption is faster for volatile species than bulk diffusion in a semisolid matrix, leading to an increase in equilibration timescale. We also show that the equilibration timescale is longer in an open system relative to a closed system especially for partitioning of miscible species; hence, caution should be exercised when interpreting and extrapolating closed-system chamber experimental results to atmosphere conditions. Our results provide a possible explanation for discrepancies between experimental observations of fast particle–particle mixing and predictions of long mixing timescales in viscous particles and provide useful insights into description and treatment of SOA in aerosol models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Direct observation of defect-aided structural evolution in Ni-rich layered cathode

Ni-rich LiNi 1-x-y Mn x Co y O 2 (NMC) layered compounds have become the dominated cathode for lithium ion batteries. The role of crystallographic defects on their structure evolution and consequent performance degradation during electrochemical cycling is not yet fully understood. In this work, we investigated the structural evolution of Ni-rich NMC cathode in a solid-state cell via in-situ transmission electron microscopy. We identified antiphase boundary (APB) and twin boundary (TB) separating layered phases played an important role on phase change. Upon the lithium depletion, the APB extends across the layered structure, while Li/transition metal (TM) ion mixing in the layered phases is detected to induce the rock-salt phase formation along the coherent TB. According to DFT calculations, Li/TM mixing and phase transition are aided by the low diffusion barriers of TM ions at planar defects. Finally, this work reveals the dynamical scenario of secondary phase evolution, which helps to unveil the origin of performance fading in Ni-rich NMC.

25 ENERGY STORAGE↗
DOE OSTI2018

Sensitivity of carbon and oxygen yields to the triple-alpha resonance in massive stars

Motivated by the possible existence of other universes, this study considers the evolution of massive stars with different values for the fundamental constants. We focus on variations in the triple alpha resonance energy and study its effects on the resulting abundances of 12 C, 16 O, and larger nuclei. In our universe, the 0 + energy level of carbon supports a resonant nuclear reaction that dominates carbon synthesis in stellar cores and accounts for the observed cosmic abundances. Here we define ΔE R to be the change in this resonant energy level, and show how different values affect the cosmic abundances of the intermediate alpha elements. Using the state of the art computational package MESA, we carry out stellar evolution calculations for massive stars in the range M* = 15 - 40 M ⊙ , and for a wide range of resonance energies. We also include both solar and low metallicity initial conditions. For negative ΔE R , carbon yields are increased relative to standard stellar models, and such universes remain viable as long as the production of carbon nuclei remains energetically favorable, and stars remain stable, down to Δ E R ≈ - 300 keV. For positive ΔE R , carbon yields decrease, but significant abundances can be produced for resonance energy increments up to Δ E R ≈ + 500 keV. Oxygen yields tend to be anti-correlated with those of carbon, and the allowed range in ΔE R is somewhat smaller. We also present yields for neon, magnesium, and silicon. Finally, with updated stellar evolution models and a more comprehensive survey of parameter space, these results indicate that the range of viable universes is larger than suggested by earlier studies.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2005

Mars, Always Cold, Sometimes Wet: New Constraints on Mars Denudation Rates and Climate Evolution from Analog Studies at Haughton Crater, Devon Island, High Arctic

Analysis of crater modification on Mars and at Haughton Crater, Devon Island, High Arctic, which was recently shown to be significantly older than previously believed (Eocene age instead of Miocene) [1], suggest that Mars may have never been climatically wet and warm for geological lengths of time during and since the Late Noachian. Impact structures offer particularly valuable records of the evolution of a planet s climate and landscape through time. The state of exposure and preservation of impact structures and their intracrater fill provide clues to the nature, timing, and intensity of the processes that have modified the craters since their formation. Modifying processes include weathering, erosion, mantling, and infilling. In this study, we compare the modification of Haughton through time with that of impact craters in the same size class on Mars. We derive upper limits for time-integrated denudation rates on Mars during and since the Late Noachian. These rates are significantly lower than previously published and provide important constraints for Mars climate evolution.

Lee, Pascal↗
DOE OSTI2018

Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS 2 Films

Here, we report on structural and electronic properties of defects in chemical vapor-deposited monolayer and few-layer MoS 2 films. Scanning tunneling microscopy, Kelvin probe force microscopy, and transmission electron microscopy were used to obtain high resolution images and quantitative measurements of the local density of states, work function and nature of defects in MoS 2 films. We track the evolution of defects that are formed under heating and electron beam irradiation. We observe formation of metastable domains with different work function values after annealing the material in ultra-high vacuum to moderate temperatures. We attribute these metastable values of the work function to evolution of crystal defects forming during the annealing. The experiments show that sulfur vacancies formed after exposure to elevated temperatures diffuse, coalesce, and migrate bringing the system from a metastable to equilibrium ground state. The process could be thermally or e-beam activated with estimated energy barrier for sulfur vacancy migration of 0.6 eV in single unit cell MoS 2 . Even at equilibrium conditions, the work function and local density of states values are strongly affected near grain boundaries and edges. The results provide initial estimates of the thermal budgets available for reliable fabrication of MoS 2 -based integrated electronics and indicate the importance of defect control and layer passivation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗