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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 OSTI2026

Constraining the Hydration of Clay Minerals and Abundances of Amorphous Phases in Gale Crater, Mars

Both water and organic matter are required for the development and persistence of life. Phyllosilicates (clay minerals) have high surface areas that easily sorb water and organic matter. The Curiosity rover has investigated several hundred meters of stratigraphy in Gale crater, including where clays were detected from orbit. Previous results have suggested that subsurface hydration is greatest in units with the most abundant clays, suggesting that these minerals may be hydrated. Organics have also been found throughout Gale crater. Smectites are the most common and abundant phyllosilicates in Gale crater samples and can expand and sorb water and organics in interlayer sites. The most common organic sorption processes on Earth typically involve water or hydroxyl, so hydrated phyllosilicates are good candidates for organic preservation. Using newly derived subsurface hydration results with previously published mineralogy and geochemistry, we derived modeled constraints on the abundances of hydrated amorphous phases, “excess” water, and “excess” cations. These “excess” phases are not accounted for by published crystalline phase abundances or by amorphous phases constrained here. We found correlations between smectites and both “excess” water and “excess” cation abundances, indicating that smectites in Gale crater are hydrated and that cation bridging could be a mechanism for sorption of organics. Our results also show the persistence of amorphous sulfates, opal-A, and volcanic or impact glass, which indicate low water-rock interactions. Increased abundances of sulfates and glass in stratigraphically higher samples may indicate lower water availability and environmental aridification during the time these units were being deposited.

58 GEOSCIENCES↗
DOE OSTI2023

The need to operationalize climate modelling

We report climate models have changed the world. Starting out as simple globally averaged representations of vertical energy exchanges in the atmosphere in the 1950s, today’s climate models are highly complex numerical representations of the Earth system based on the fundamental laws of physics. Their development has largely been driven by scientific curiosity, with the many approximate virtual representations of Earth available today enabling the interrogation of the past and present climate system and the development of an understanding of the influence of human activity on its future. It is this understanding that underpins the climate mitigation targets enshrined in the Paris Agreement to limit global mean temperature increases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

An interval of high salinity in ancient Gale crater lake on Mars

Precipitated minerals, including salts, are primary tracers of atmospheric conditions and water chemistry in lake basins. Ongoing in situ exploration by the Curiosity rover of Hesperian (around 3.3–3.7 Gyr old) sedimentary rocks within Gale crater on Mars has revealed clay-bearing fluvio-lacustrine deposits with sporadic occurrences of sulfate minerals, primarily as late-stage diagenetic veins and concretions. In this work, we report bulk enrichments, disseminated in the bedrock, of 30–50 wt% calcium sulfate intermittently over about 150 m of stratigraphy, and of 26–36 wt% hydrated magnesium sulfate within a thinner section of strata. We use geochemical analysis, primarily from the ChemCam laser-induced breakdown spectrometer, combined with results from other rover instruments, to characterize the enrichments and their lithology. The deposits are consistent with early diagenetic, pre-compaction salt precipitation from brines concentrated by evaporation, including magnesium sulfate-rich brines from extreme evaporative concentration. This saline interval represents a substantial hydrological perturbation of the lake basin, which may reflect variations in Mars’ obliquity and orbital parameters. Our findings support stepwise changes in Martian climate during the Hesperian, leading to more arid and sulfate-dominated environments as previously inferred from orbital observations.

58 GEOSCIENCES↗
DOE OSTI2015

Recent progress and perspective in solution-processed Interfacial materials for efficient and stable polymer and organometal perovskite solar cells

Here in this review, we summarize the latest developments in solution-processed interfacial layers that have contributed to the significantly improved performance of polymer and perovskite solar cells (PSCs and PVSCs). We discuss the solution-processed interfacial materials, including organic electrolytes, organic–inorganic hybrids, graphene oxides (GOs), transition metal oxides (TMOs), and self-assembled functional materials, along with their integration into efficient PSCs, polymer tandem cells (PTCs), and the emerging perovskite solar cells (PVSCs). Regarding the rapid progress of PSCs and PVSCs, strategies and perspectives of further improving solution-processed interfacial materials are also discussed to help readers understand the challenges and opportunities in transitioning from scientific curiosity into technology translation for realizing low-cost, printable, and high-efficiency flexible solar cells to address the scalability issues facing solar energy.

14 SOLAR ENERGY↗
DOE OSTI2020

Advances and challenges for experiment and theory for multi-electron multi-proton transfer at electrified solid–liquid interfaces

Multi-electron, multi-proton transfer is important in a wide spectrum of processes spanning biological, chemical and physical systems. These reactions have attracted significant interest due to both fundamental curiosity and potential applications in energy technology. In this Perspective Review, we shed light on modern aspects of electrode processes in the 21st century, in particular on the recent advances and challenges in multistep electron/proton transfers at solid–liquid interfaces. Ongoing developments of analytical techniques and operando spectrometry at electrode/electrolyte interfaces and reliable computational approaches to simulate complicated interfacial electrochemical reactions enable us to obtain microscopic insights about these complex processes, such as the role of quantum effects in electrochemical reactions. Our motivation in this Perspective Review is to provide a comprehensive survey and discussion of state-of-the-art developments in experiments, materials, and theories for modern electrode process science, as well as to present an outlook for the future directions in this field.

Sakaushi, Ken↗
DOE OSTI2020

Blocking like it's hot: a synthetic chemists’ path to high-temperature lanthanide single molecule magnets

Progress in the synthesis, design, and characterisation of single-molecule magnets (SMMs) has expanded dramatically from curiosity driven beginnings to molecules that retain magnetization above the boiling point of liquid nitrogen. This is in no small part due to the increasingly collaborative nature of this research where synthetic targets are guided by theoretical design criteria. This article aims to summarize these efforts and progress from the perspective of a synthetic chemist with a focus on how chemistry can modulate physical properties. Here, a simple overview is presented of lanthanide electronic structure in order to contextualize the synthetic advances that have led to drastic improvements in the performance of lanthanide-based SMMs from the early 2000s to the late 2010s.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Planck 2018 results. V. CMB power spectra and likelihoods

We describe the legacy Planck cosmic microwave background (CMB) likelihoods derived from the 2018 data release. The overall approach is similar in spirit to the one retained for the 2013 and 2015 data release, with a hybrid method using different approximations at low ( ℓ < 30) and high ( ℓ ≥ 30) multipoles, implementing several methodological and data-analysis refinements compared to previous releases. With more realistic simulations, and better correction and modelling of systematic effects, we can now make full use of the CMB polarization observed in the High Frequency Instrument (HFI) channels. The low-multipole EE cross-spectra from the 100 GHz and 143 GHz data give a constraint on the ΛCDM reionization optical-depth parameter τ to better than 15% (in combination with the TT low- ℓ data and the high- ℓ temperature and polarization data), tightening constraints on all parameters with posterior distributions correlated with τ . We also update the weaker constraint on τ from the joint TEB likelihood using the Low Frequency Instrument (LFI) channels, which was used in 2015 as part of our baseline analysis. At higher multipoles, the CMB temperature spectrum and likelihood are very similar to previous releases. A better model of the temperature-to-polarization leakage and corrections for the effective calibrations of the polarization channels (i.e., the polarization efficiencies) allow us to make full use of polarization spectra, improving the ΛCDM constraints on the parameters θ MC , ω c , ω b , and H 0 by more than 30%, and n s by more than 20% compared to TT-only constraints. Extensive tests on the robustness of the modelling of the polarization data demonstrate good consistency, with some residual modelling uncertainties. At high multipoles, we are now limited mainly by the accuracy of the polarization efficiency modelling. Using our various tests, simulations, and comparison between different high-multipole likelihood implementations, we estimate the consistency of the results to be better than the 0.5 σ level on the ΛCDM parameters, as well as classical single-parameter extensions for the joint likelihood (to be compared to the 0.3 σ levels we achieved in 2015 for the temperature data alone on ΛCDM only). Minor curiosities already present in the previous releases remain, such as the differences between the best-fit ΛCDM parameters for the ℓ < 800 and ℓ > 800 ranges of the power spectrum, or the preference for more smoothing of the power-spectrum peaks than predicted in ΛCDM fits. These are shown to be driven by the temperature power spectrum and are not significantly modified by the inclusion of the polarization data. Overall, the legacy Planck CMB likelihoods provide a robust tool for constraining the cosmological model and represent a reference for future CMB observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Mimicking Mars: A vacuum simulation chamber for testing environmental instrumentation for Mars exploration

We have built a Mars environmental simulation chamber, designed to test new electromechanical devices and instruments that could be used in space missions. We have developed this environmental system aiming at validating the meteorological station Rover Environment Monitoring Station of NASA's Mars Science Laboratory mission currently installed on Curiosity rover. The vacuum chamber has been built following a modular configuration and operates at pressures ranging from 1000 to 10{sup −6} mbars, and it is possible to control the gas composition (the atmosphere) within this pressure range. The device (or sample) under study can be irradiated by an ultraviolet source and its temperature can be controlled in the range from 108 to 423 K. As an important improvement with respect to other simulation chambers, the atmospheric gas into the experimental chamber is cooled at the walls by the use of liquid-nitrogen heat exchangers. This chamber incorporates a dust generation mechanism designed to study Martian-dust deposition while modifying the conditions of temperature, and UV irradiated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Specific heat of Nb{sub 3}Sn: The case for a single gap

The important influence of multiple gaps in the superconductivity of MgB{sub 2} and Fe-based compounds, especially because of the possibility that manipulation of a second gap can significantly raise the upper critical field H{sub c2}, has refocused attention on Nb{sub 3}Sn because anomalies in both specific heat and point-contact tunneling studies have led to the proposal that Nb{sub 3}Sn is also a two-gap superconductor. Here, we search for evidence of the second gap in a careful study of the influence of the homogenization temperature on the sample uniformity. We show that it is very difficult to fabricate samples that are both homogeneous and stoichiometric. We find so-called “second-gap” anomalies disappear only after high temperature and long-term annealing. Such a well-annealed sample shows only a strong, electron-phonon-coupled, single-gap behavior. In contrast, samples reacted and annealed at lower temperatures, as in the earlier two-gap studies, show small chemical composition variations of the A15 phase. We propose that the second gap sightings are actually due to variation of T{sub c} within very difficult-to-fully homogenize samples. A curiosity of the A15 Nb{sub 3}Sn phase is that almost any mixture of Nb and Sn tries to form a stoichiometric A15 composition, but the residue of course contains off-stoichiometric A15, Nb, and other phases when the Nb:Sn ratio departs from the true 3:1 stoichiometry.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Ultrasonic imaging of materials under unconventional circumstances

This paper reflects the contents of the plenary talk given by Nico Felicien Declercq. “Ultrasonic Imaging of materials” covers a wide technological area with main purpose to look at and to peek inside materials. In an ideal world one would manage to examine materials like a clairvoyant. Fortunately this is impossible hence nature has offered sufficient challenges to mankind to provoke curiosity and to develop science and technology. Here we focus on the appearance of certain undesired physical effects that prohibit direct imaging of materials in ultrasonic C-scans. Furthermore we try to make use of these effects to obtain indirect images of materials and therefore make a virtue of necessity. First we return to one of the oldest quests in the progress of mankind: how thick is ice? Our ancestors must have faced this question early on during migration to Northern Europe and to the America’s and Asia. If a physicist or engineer is not provided with helpful tools such as a drill or a device based on ultrasound, it is difficult to determine the ice thickness. Guided waves, similar to those used for nondestructive testing of thin plates in structural health monitoring can be used in combination with the human ear to determine the thickness of ice. To continue with plates, if an image of its interior is desired high frequency ultrasonic pulses can be applied. It is known by the physicist that the resolution depends on the wavelength and that high frequencies usually result in undesirably high damping effects inhibiting deep penetration into the material. To the more practical oriented engineer it is known that it is advantageous to polish surfaces before examination because scattering and diffraction of sound lowers the image resolution. Random scatterers cause some blurriness but cooperating scatters, causing coherent diffraction effects similar to the effects that cause DVD’s to show rainbow patterns under sunlight, can cause spooky images and erroneous measurements of material properties. However when properly understood, diffraction effects, for instance if one has no other options but to work with frequencies that are fortuitously very effectively diffracted by the surface structure of a material under investigation, can be used to obtain high contract images or to obtain information that would normally be hidden from standard C-scan techniques. Similar contrast enhancement is also obtained for oblique C-scans of composites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Superhydrophobic durable coating based on UV-photoreactive silica nanoparticles

Superhydrophobic surfaces with contact angle (CA) >150 and sliding angle (SA) <10 have been aroused curiosity over the years due to their various applications. Superhydrophobicity can be obtained tailoring the chemistry and the roughness of the surface, mimicking the Lotus flower. Most superhydrophobic surfaces based on secondary bonding lose their roughness in harsh conditions and are unsuitable for practical applications. Photoreactive SiO{sub 2} nanoparticles (NPs) based on benzophenone (BP) can be a very effective tool for formation of reactive species that function as a molecular bridge by covalent bonding between the NP and any polymer matrix with C-C and C-H bonds. The present work focused on thermoset radiation curing urethane acrylate. Upon UV irradiation reactive excited nπ* triplet benzophenone species are formed and react through hydrogen abstraction to form ketyl radicals which interact with a radicals from the UV irradiated polymer matrix to yield covalent bonding. Roughness was achieved by dipping the substrate in SiO{sub 2}@BPs NPs dispersion followed by irradiation. Fluoroalkylsilane was used to obtain hydrophobic top layer. AFM nano manipulation was used to verify the immobilization of NPs. Evaluation of durability was made using air flow at 300 km/hr. Preliminary results indicate the formation of super hydrophobic surfaces (CA>150 and SA<10) with improved stability.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Singlet fission

Singlet fission (SF) is a process whereby a photo-excited singlet exciton spontaneously splits into lower energy triplet excitons. This process has been known to occur in select organic materials for over 50 years but in the past was viewed as a curiosity and not as a problem worthy of focused attention. Over the past decade, this viewpoint has changed as the promising use of SF to improve photovoltaic efficiency has spurred vast activity, which has revealed the richness of the phenomenon. Currently, our understanding of the role played by various bright and dark states and their couplings to vibrations and to each other and by chemical composition and packing, among other factors, has enabled a large increase in the number of viable SF systems as well as a far deeper understanding of the process itself. These advances have allowed for the demonstration of proof-of-concept increases in the solar cell efficiency via the use of SF materials in simple tandem cells and as sensitizers in conjunction with conventional photovoltaics. Indeed, concepts surrounding the field have now invaded other fields, with a prominent example being the use of photon upconversion associated with triplet–triplet fusion (the inverse process to SF) in organic chemistry and photocatalysis. The 23 research articles in this special topic showcase recent cutting-edge advances in the field and highlight the diverse new directions being explored in the field of SF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Elaborated thermochemical treatment of HF, CO, N 2 , and H 2 O: Insight into HEAT and its extensions

Here, empirical, highly accurate non-relativistic electronic total atomization energies (eTAEs) are established by combining experimental or computationally converged treatments of the nuclear motion and relativistic contributions with the total atomization energies of HF, CO, N 2 , and H 2 O obtained from the Active Thermochemical Tables. These eTAEs, which have estimated (2σ) uncertainties of less than 10 cm -1 (0.12 kJ mol -1 ), form the basis for an analysis of high-level ab initio quantum chemical calculations that aim at reproducing these eTAEs for the title molecules. The results are then employed to analyze the performance of the high-accuracy extrapolated ab initio thermochemistry, or High-Accuracy Extrapolated Ab Initio Thermochemistry (HEAT), family of theoretical methods. The method known as HEAT-345(Q), in particular, is found to benefit from fortuitous error cancellation between its treatment of the zero-point energy, extrapolation errors in the Hartree-Fock and coupled cluster contributions, neglect of post-(T) core-correlation, and the basis-set error involved in higher-level correlation corrections. In addition to shedding light on a longstanding curiosity of the HEAT protocol—where the cheapest HEAT-345(Q) performs comparably to the theoretically more complete HEAT-456QP procedure—this study lays the foundation for extended HEAT variants that offer substantial improvements in accuracy relative to the established approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Celebrating Notable Advances in Compound Semiconductors: A Tribute to Dr. Wladyslaw Walukiewicz

The Special Topic "Native Defects, Impurities and the Electronic Structure of Compound Semiconductors" is dedicated to Dr. Wladyslaw (Wladek) Walukiewicz, our esteemed colleague who passed away on November 9, 2022, at age 76. It is not often that a scientist is able to profoundly impact more than one to two scientific topics in their lifetime. Dr. Walukiewicz, a condensed matter theorist by training, arguably did that for at least four. While his scientific accomplishments tell the story of a successful career and valuable contributions, it does not convey the entire story. For the rest, one has only to look at the community of researchers he brought together across the globe. Dr. Walukiewicz conducted his work with curiosity, integrity, and respect for others that elevated those around him. Here, we pay tribute to Dr. Walukiewicz's ideas and the legacy he leaves behind.

defects↗
DOE OSTI2015

Molecular pathways for defect annihilation in directed self-assembly.

Over the last few years, the directed self-assembly of block copolymers by surface patterns has transitioned from academic curiosity to viable contender for commercial fabrication of next-generation nanocircuits by lithography. Recently, it has become apparent that kinetics, and not only thermodynamics, plays a key role for the ability of a polymeric material to self-assemble into a perfect, defect-free ordered state. Perfection, in this context, implies not more than one defect, with characteristic dimensions on the order of 5 nm, over a sample area as large as 100 cm2. In this work, we identify the key pathways and the corresponding free-energy barriers for eliminating defects, and we demonstrate that an extraordinarily large thermodynamic driving force is not necessarily sufficient for their removal. By adopting a concerted computational and experimental approach, we explain the molecular origins of these barriers, how they depend on material characteristics, and we propose strategies designed to over-come them. The validity of our conclusions for industrially-relevant patterning processes is established by relying on instruments and assembly lines that are only available at state-of-the-art fabrication facilities and, through this confluence of fundamental and applied research, we are able to discern the evolution of morphology at the smallest relevant length scales - a handful of nanometers -, and present a view of defect annihilation in directed self-assembly at an unprecedented level of detail.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

MARVELS-1: A FACE-ON DOUBLE-LINED BINARY STAR MASQUERADING AS A RESONANT PLANETARY SYSTEM AND CONSIDERATION OF RARE FALSE POSITIVES IN RADIAL VELOCITY PLANET SEARCHES

We have analyzed new and previously published radial velocity (RV) observations of MARVELS-1, known to have an ostensibly substellar companion in a {approx}6 day orbit. We find significant ({approx}100 m s{sup -1}) residuals to the best-fit model for the companion, and these residuals are naievely consistent with an interior giant planet with a P = 1.965 days in a nearly perfect 3:1 period commensurability (|P{sub b} /P{sub c} - 3| < 10{sup -4}). We have performed several tests for the reality of such a companion, including a dynamical analysis, a search for photometric variability, and a hunt for contaminating stellar spectra. We find many reasons to be critical of a planetary interpretation, including the fact that most of the three-body dynamical solutions are unstable. We find no evidence for transits, and no evidence of stellar photometric variability. We have discovered two apparent companions to MARVELS-1 with adaptive optics imaging at Keck; both are M dwarfs, one is likely bound, and the other is likely a foreground object. We explore false-alarm scenarios inspired by various curiosities in the data. Ultimately, a line profile and bisector analysis lead us to conclude that the {approx}100 m s{sup -1} residuals are an artifact of spectral contamination from a stellar companion contributing {approx}15%-30% of the optical light in the system. We conclude that origin of this contamination is the previously detected RV companion to MARVELS-1, which is not, as previously reported, a brown dwarf, but in fact a G dwarf in a face-on orbit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

MODELING THE VARIATIONS OF DOSE RATE MEASURED BY RAD DURING THE FIRST MSL MARTIAN YEAR: 2012–2014

The Radiation Assessment Detector (RAD), on board Mars Science Laboratory’s (MSL) rover Curiosity, measures the energy spectra of both energetic charged and neutral particles along with the radiation dose rate at the surface of Mars. With these first-ever measurements on the Martian surface, RAD observed several effects influencing the galactic cosmic-ray (GCR) induced surface radiation dose concurrently: (a) short-term diurnal variations of the Martian atmospheric pressure caused by daily thermal tides, (b) long-term seasonal pressure changes in the Martian atmosphere, and (c) the modulation of the primary GCR flux by the heliospheric magnetic field, which correlates with long-term solar activity and the rotation of the Sun. The RAD surface dose measurements, along with the surface pressure data and the solar modulation factor, are analyzed and fitted to empirical models that quantitatively demonstrate how the long-term influences ((b) and (c)) are related to the measured dose rates. Correspondingly, we can estimate dose rate and dose equivalents under different solar modulations and different atmospheric conditions, thus allowing empirical predictions of the Martian surface radiation environment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The skeleton of the Milky Way

Recently, Goodman et al. argued that the very long, very thin infrared dark cloud “Nessie” lies directly in the Galactic midplane and runs along the Scutum–Centaurus Arm in position–position–velocity (p–p–v) space as traced by lower-density CO and higher-density NH{sub 3} gas. Nessie was presented as the first “bone” of the Milky Way, an extraordinarily long, thin, high-contrast filament that can be used to map our Galaxy’s “skeleton.” Here we present evidence for additional bones in the Milky Way, arguing that Nessie is not a curiosity but one of several filaments that could potentially trace Galactic structure. Our 10 bone candidates are all long, filamentary, mid-infrared extinction features that lie parallel to, and no more than 20 pc from, the physical Galactic mid-plane. We use CO, N{sub 2}H{sup +}, HCO{sup +}, and NH{sub 3} radial velocity data to establish the three-dimensional location of the candidates in p–p–v space. Of the 10 candidates, 6 also have a projected aspect ratio of ≥50:1; run along, or extremely close to, the Scutum–Centaurus Arm in p–p–v space; and exhibit no abrupt shifts in velocity. The evidence presented here suggests that these candidates mark the locations of significant spiral features, with the bone called filament 5 (“BC-18.88-0.09”) being a close analog to Nessie in the northern sky. As molecular spectral-line and extinction maps cover more of the sky at increasing resolution and sensitivity, it should be possible to find more bones in future studies.

79 ASTRONOMY AND ASTROPHYSICS↗