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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Colossal grain growth in Cd(Se,Te) thin films and their subsequent use in CdTe epitaxy by close-spaced sublimation

Many technologies deposit thin films on inexpensive substrates, resulting in small grains due to classic nucleation and grain growth theory. For example, state-of-the-art solar cells are made by depositing CdSeTe and CdTe layers on inexpensive glass coated with nanocrystalline transparent conducting oxides (TCOs), like SnO 2 . Characteristically, the grain size of these films is on the order of the film thickness, i.e. a few microns. CdTe small-grain films have poor electro-optical properties and require CdCl 2 passivation which fails to fully passivate grain boundaries, causes carrier compensation, and prevents implementing other II–VI alloys and materials to improve performance. Here, we present a method to increase grain size to 1 mm in CdSe x Te 1-x thin films deposited on glass/TCO substrates without CdCl 2 treatment. The colossal grain growth is driven by mechanisms distinct from classic nucleation, grain growth, and Ostwald ripening and only occurs at low selenium content (x ~ 0.1). We also demonstrate how these films can serve as templates for subsequent large-grain epitaxy of other compositions like CdTe, again without exposure to CdCl 2 . The results open new paths for thin film solar cell technology, and thin film devices in general.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Impacts of Latent Energy and Snow Fall Speed on a Wintertime Midlatitude Cyclone

This study aimed to understand the impacts of latent energy as well as snow fall speeds on precipitation properties and synoptic-scale storm characteristics of a wintertime midlatitude cyclone. Simulations of a potent winter storm that impacted the Rocky Mountains and northern Great Plains of the United States in February 2017 were performed using the Weather Research and Forecasting model with latent heating or cooling from individual microphysical processes systematically turned off and fall speeds adjusted by ±50%. Results indicated substantial impacts on the microphysical characteristics of the simulated storm to fall speed, cooling from sublimation, and warming from deposition. The impacts of cooling and warming were manifested as differences in accumulated snowfall. Increased (decreased) fall speeds led to smaller (larger) ice crystals and total mass, resulting in offsetting effects on the precipitation flux, and thus minimal impacts on snowfall and large-scale characteristics of the storm. Warming and cooling associated with deposition and sublimation, respectively, impacted the synoptic-scale dynamics, whereby removing warming from deposition resulted in an increased meridional temperature gradient near the jet stream, thus increasing the jet strength and causing it to be more westerly with less curvature aloft. This in turn limited upper-level divergence, creating a weaker surface low and shifting the precipitation shield southward. The opposite occurred with the removal of latent cooling due to sublimation. This study highlights the potential importance of latent energy associated with ice sublimation and deposition and fall speeds in the larger-scale characteristics of winter storms.

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

Thermally induced structural evolution and nanoscale interfacial dynamics in Bi-Sb-Te layered nanostructures

Layered chalcogenides, including Bi-Sb-Te ternary alloys and heterostructures, are renowned as thermoelectric and topological insulators and have recently been highlighted as plasmonic building blocks beyond noble metals. Here, we conduct joint in situ transmission electron microscopy and density functional theory calculations to investigate the temperature-dependent nanoscale dynamics and interfacial properties, identifying the role of native defects and edge configurations in the anisotropic sublimation of Bi 2 Te 3 -Sb 2 Te 3 heterostructures and Sb 2-x Bi x Te 3 alloys. We report structural dynamics, including edge evolution, layer-by-layer sublimation, and the formation and coalescence of thermally induced polygonal nanopores. These nanopores are initiated by preferential dissociation of tellurium, reducing thermal stability in heterostructures. Triangular and quasi-hexagonal configurations dominate nanopore structures in heterostructures. Our calculations reveal antisite defects (Te Sb and Te Bi ) as key players in defect-assisted sublimation. These findings enhance our understanding of nanoscale dynamics and assist in designing tunable low-dimensional chalcogenides.

Bi2Te3-Sb2Te3 heterostructure↗
DOE OSTI2024

Oxidation of Silicon Carbide with Atomic Oxygen through the Passive-to-Active Transition

The inelastic and reactive scattering dynamics of O( 3 P) atoms on a 6H-silicon carbide (SiC) surface were investigated as a function of temperature with a molecular beam-surface scattering technique that employed a rotatable mass spectrometer detector. One set of experiments used a pulsed hyperthermal beam that produced ~8 km s –1 O atoms, and another set of experiments used a continuous beam that contained O atoms with a nominal velocity of ~2 km s –1 . When exposed to the relatively low-flux, pulsed hyperthermal O-atom beam, a passive oxide layer on the SiC that formed at lower temperatures decomposed as the temperature increased above 1673 K. Instead of entering an active oxidation regime, a graphitic layer formed on the surface and largely protected the underlying SiC from incoming O atoms. Investigation of the oxide decomposition without O-atom bombardment revealed volatile Si and SiO products at the moment that the oxide decomposed, implying that Si sublimation occurs concurrently with oxide decomposition. In the experiment with the continuous (higher flux) O-atom beam, volatile SiO and CO products were observed after the passive oxide decomposed, indicating that active oxidation was reached. Finally, the results of this study provide evidence for the importance of Si sublimation within the active oxidation regime. Above the passive-to-active transition temperature, Si sublimation is an ongoing process, and continuous active oxidation will only occur if sufficient oxygen reacts with the surface to produce SiO more quickly than a graphitic layer can form. Thus, accurate models of SiC ablation by atomic oxygen must account for multiple competing mechanisms that depend on the surface temperature and incident O-atom flux.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Physical Controls on the Hydrology of Perennially Ice-Covered Lakes, Taylor Valley, Antarctica (1996–2013)

The McMurdo Dry Valleys, Antarctica, are a polar desert populated with numerous closed-watershed, perennially ice-covered lakes primarily fed by glacial melt. Lake levels have varied by as much as 8 m since 1972 and are currently rising after a decade of decreasing. Precipitation falls as snow, so lake hydrology is dominated by energy available to melt glacier ice and to sublimate lake ice. To understand the energy and hydrologic controls on lake level changes and to explain the variability between neighboring lakes, only a few kilometers apart, we model the hydrology for the three largest lakes in Taylor Valley. Here, we apply a physically based hydrological model that includes a surface energy balance model to estimate glacial melt and lake sublimation to constrain mass fluxes to and from the lakes. Results show that lake levels are very sensitive to small changes in glacier albedo, air temperature, and wind speed. We were able to balance the hydrologic budget in two watersheds using meltwater inflow and sublimation loss from the ice-covered lake alone. A third watershed, closest to the coast, required additional inflow beyond model uncertainties. We hypothesize a shallow groundwater system within the active layer, fed by dispersed snow patches, contributes 23% of the inflow to this watershed. The lakes are out of equilibrium with the current climate. If the climate of our study period (1996–2013) persists into the future, the lakes will reach equilibrium starting in 2300, with levels 2–17 m higher, depending on the lake, relative to the 2020 level.

58 GEOSCIENCES↗
DOE OSTI2025

A rigorous framework for an improved Messinger/Myers model of ice accretion under conditions of variable property and unsteady aircraft icing

We analyse the Messinger/Myers model by critically evaluating simplifying assumptions through a rigorous formulation of the rime ice accretion process. We explore the effects of both constant and variable ice density and thermal conductivity, along with the effects of sublimation from the ice surface. The effects of key factors such as droplet impact rate, ambient temperature relative to the freezing temperature and the temperature difference between the ambient air and the airfoil surface are examined. Under these varying conditions, the present rigorous formulation is used to assess the significance of unsteady effects, variable ice properties and sublimation. We observe that the Myers model performs remarkably well in certain icing situations and analyse the reasons for this strong performance. We also show that partially relaxing the model’s assumptions can lead to poorer performance. The Myers model can lead to overprediction of ice surface temperature and correspondingly underprediction of transition time under conditions of relatively weak sublimation and surface cooling. A modified Myers model is presented, which can be used to recover near-perfect results under widely varying icing conditions of relevance. This article is part of the theme issue ‘Heat and mass transfer in frost and ice’.

Science & Technology - Other Topics↗
DOE OSTI2021

C/2014 UN 271 (Bernardinelli-Bernstein): The Nearly Spherical Cow of Comets

Abstract Comet C/2014 UN 271 (Bernardinelli-Bernstein), incoming from the Oort cloud, is remarkable in having the brightest (and presumably largest) nucleus of any well-measured comet and having been discovered at the heliocentric distance r h ≈ 29 au, farther than any Oort cloud comet. In this work, we describe the discovery process and observations and the properties that can be inferred from images recorded until the first reports of activity in 2021 June. The orbit has i = 95°, with a perihelion of 10.97 au to be reached in 2031 and a previous aphelion at 40,400 ± 260 au. Backward integration of the orbit under a standard Galactic tidal model and known stellar encounters suggests a perihelion of q ≈ 18 au on its previous perihelion passage 3.5 Myr ago; hence, the current data could be the first ever obtained of a comet that has not been inside Uranus’s orbit in 4 Gyr. The photometric data show an unresolved nucleus with absolute magnitude H r = 8.0, colors that are typical of comet nuclei or Damocloids, and no secular trend as it traversed the range 34–23 au. For the r -band geometric albedo p r , this implies a diameter of 150 ( p r / 0.04 ) − 0.5 km. There is strong evidence of brightness fluctuations at the ±0.2 mag level, but no rotation period can be discerned. A coma, nominally consistent with a “stationary” 1/ ρ surface brightness distribution, grew in scattering cross section at an exponential rate from A f ρ ≈ 1 to ≈150 m as the comet approached from 28 to 20 au. The activity rate is consistent with a very simple model of sublimation of a surface species in radiative equilibrium with the Sun. The inferred enthalpy of sublimation matches those of CO 2 and NH 3 . More volatile species, such as N 2 , CH 4 , and CO, must be far less abundant on the sublimating surfaces.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Atmospheric particle abundance and sea salt aerosol observations in the springtime Arctic: a focus on blowing snow and leads

Abstract. Sea salt aerosols play an important role in the radiation budget and atmospheric composition over the Arctic, where the climate is rapidly changing. Previous observational studies have shown that Arctic sea ice leads are an important source of sea salt aerosols, and modeling efforts have also proposed blowing snow sublimation as a source. In this study, size-resolved atmospheric particle number concentrations and chemical composition were measured at the Arctic coastal tundra site of Utqiaġvik, Alaska, during spring (3 April–7 May 2016). Blowing snow conditions were observed during 25 % of the 5-week study period and were overpredicted by a commonly used blowing snow parameterization based solely on wind speed and temperature. Throughout the study, open leads were present locally. During periods when blowing snow was observed, significant increases in the number concentrations of 0.01–0.06 µm particles (factor of 6, on average) and 0.06–0.3 µm particles (67 %, on average) and a significant decrease (82 %, on average) in 1–4 µm particles were observed compared to low wind speed periods. These size distribution changes were likely caused by the generation of ultrafine particles from leads and/or blowing snow, with scavenging of supermicron particles by blowing snow. At elevated wind speeds, both submicron and supermicron sodium and chloride mass concentrations were enhanced, consistent with wind-dependent local sea salt aerosol production. At moderate wind speeds below the threshold for blowing snow as well as during observed blowing snow, individual sea spray aerosol particles were measured. These individual salt particles were enriched in calcium relative to sodium in seawater due to the binding of this divalent cation with organic matter in the sea surface microlayer and subsequent enrichment during seawater bubble bursting. The chemical composition of the surface snowpack also showed contributions from sea spray aerosol deposition. Overall, these results show the contribution of sea spray aerosol production from leads on both aerosols and the surface snowpack. Therefore, if blowing snow sublimation contributed to the observed sea salt aerosol, the snow being sublimated would have been impacted by sea spray aerosol deposition rather than upward brine migration through the snowpack. Sea spray aerosol production from leads is expected to increase, with thinning and fracturing of sea ice in the rapidly warming Arctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Effect of Sample Mass, Confinement, and Preheating Time on the Thermal Response of LLM‐105: Experiments and Kinetic Analysis

Various small-scale experiments were performed to provide data for developing a model to predict the thermal response of LLM-105 over a wide range of conditions. The thermal decomposition of LLM-105 was studied as a function of sample mass, confinement of volatile products, and preheating time in both isothermal and ramped heating experiments. The thermal decomposition of LLM-105 is a two-step process, as shown by the two exothermic peaks in the heat flow profiles, which were fitted to two nth-order autocatalytic reaction models with a similar activation energy of ∼289 kJ/mol. The magnitude and shape of these peaks varied with sample mass and confinement. Increasing sample mass enhanced the second exotherm with respect to the first one, while increasing the level of confinement promoted a transition from a sublimation-dominated regime towards thermal decomposition. The effect of LLM-105 particle size on the rate of weight loss was evident for open-pan experiments, where bigger particles sublimed at lower temperatures than smaller particles. Thermal response and solid residue composition of LLM-105 samples were analyzed following preheating for different durations. Longer preheating times caused a shift of the second exotherm to lower temperatures and a decrease in the reaction enthalpy, confirming that LLM-105 decay is a consecutive reaction mechanism, probably autocatalytic. In conclusion, the kinetic model derived from ramped experiments was validated against the measured LLM-105 fraction remaining and the enthalpy remaining of the solid residue as a function of preheating times and showed good agreement.

Chemistry - Chemical explosives↗
DOE OSTI2023

Influence of Codeposition on Methylammonium Iodide Degradation during Vapor Transport Deposition

Vapor transport deposition (VTD) is one manufacturing-compatible technique for large-scale deposition of perovskite films. However, to date, little understanding has been given to degradation products formed by perovskites grown under vacuum. Here, we use methylammonium iodide (MAI) as an example organic precursor to identify degradation patterns through both the sublimation process and transport through a zone with temperatures much higher than MAI can thermodynamically survive. We show that degradation due to sublimation effects MAI powders and subsequent integration into methylammonium lead iodide (MAPbI3) films differently than degradation solely due to material transport through a very high-temperature zone. Additionally, we categorize common post-deposition treatments by their influence on the degradation products seen in MAPbI3 films. Furthermore, with these results we give recommendations for VTD reactor design and the feasibility of co-deposition as a film growth technique.

14 SOLAR ENERGY↗
DOE OSTI2023

Surface premelting of ice far below the triple point

Premelting of ice, a quasi-liquid layer (QLL) at the surface below the melting temperature, was first postulated by Michael Faraday 160 y ago. Since then, it has been extensively studied theoretically and experimentally through many techniques. Existing work has been performed predominantly on hexagonal ice, at conditions close to the triple point. Whether the same phenomenon can persist at much lower pressure and temperature, where stacking disordered ice sublimates directly into water vapor, remains unclear. Herein, we report direct observations of surface premelting on ice nanocrystals below the sublimation temperature using transmission electron microscopy (TEM). Similar to what has been reported on hexagonal ice, a QLL is found at the solid-vapor interface. It preferentially decorates certain facets, and its thickness increases as the phase transition temperature is approached. In situ TEM reveals strong diffusion of the QLL, while electron energy loss spectroscopy confirms its amorphous nature. More significantly, the premelting observed in this work is thought to be related to the metastable low-density ultraviscous water, instead of ambient liquid water as in the case of hexagonal ice. This opens a route to understand premelting and grassy liquid state, far away from the normal water triple point.

58 GEOSCIENCES↗
DOE OSTI2020

Physical Characterization of Interstellar Comet 2I/2019 Q4 (Borisov)

We present a study of interstellar comet 2I/2019 Q4 (Borisov) using both preperihelion and postperihelion observations spanning late September 2019 through late January 2020. The intrinsic brightness of the comet was observed to continuously decline throughout the timespan, likely due to the decreasing effective scattering cross-section as a result of volatile sublimation with a slope of −0.43 ± 0.02 km{sup 2} d{sup −1}. We witnessed no significant change in the slightly reddish color of the comet, with mean values of 〈g−r〉=0.68±0.04, 〈r−i〉=0.23±0.03, and the normalized reflectivity gradient across the g and i bands (S{sup ′})-bar (g,i)=(10.6±1.4)% per 10{sup 3} Å, all unremarkable in the context of solar system comets. Using the available astrometric observations, we confidently detect the nongravitational acceleration of the comet following a shallow heliocentric distance dependence of r{sub H}{sup −1±1}. Accordingly, we estimate that the nucleus is most likely ≲0.4 km in radius, and that a fraction of ≳0.2% of the total mass of the nucleus has been eroded due to the sublimation activity since the earliest observation of the comet in 2018 December by the time of perihelion. Our morphology simulation suggests that the dust ejection speed increased from ∼4 m s{sup −1} in 2019 September to ∼7 m s{sup −1} around perihelion for the optically dominant dust grains with β∼0.01, and that the observable dust grains are no smaller than micron size.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Disintegration of Long-period Comet C/2019 Y4 (ATLAS). I. Hubble Space Telescope Observations

The near-Sun comet C/2019 Y4 (ATLAS) is the first member of a long-period comet group observed to disintegrate well before perihelion. Here we present our investigation into this disintegration event using images obtained in a three-day Hubble Space Telescope campaign. We identify two fragment clusters produced by the initial disintegration event, corresponding to fragments C/2019 Y4-A and C/2019 Y4-B identified in ground-based data. These two clusters started with similar integrated brightness but exhibit different evolutionary behavior. C/2019 Y4-A was much shorter-lived compared to C/2019 Y4-B and showed signs of significant mass loss and changes in size distribution throughout the three-day campaign. The cause of the initial fragmentation is undetermined by the limited evidence but crudely compatible with either the spin-up disruption of the nucleus or runaway sublimation of subsurface supervolatile ices, either of which would lead to the release of a large amount of gas as inferred from the significant bluing of the comet observed shortly before its disintegration. Gas can only be produced by the sublimation of volatile ices, which must have survived at least one perihelion passage at a perihelion distance of q = 0.25 au. We speculate that Comet ATLAS is derived from the ice-rich interior of a nonuniform, kilometer-wide progenitor that split during its previous perihelion. This suggests that comets down to a few kilometers in diameter can still possess complex, nonuniform interiors that can protect ices against intense solar heating.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Solventless Dual‐Cure Liquid Resins Via Circular Use of Phthalic Anhydride for Recyclable Composite Applications

Abstract Fiber‐reinforced composites (FRCs) possess a remarkable strength‐to‐weight ratio, making them ideal light‐weighing alternative materials of metals used in automotive, aerospace, and outdoor equipment applications, but their recycling is challenging. Chemically recyclable thermoset polymers can enable fiber recovery and reuse; however, challenges remain in the separation and purification of depolymerized small molecules for efficient polymer recycling. To this end, a series of liquid resins for chemically recyclable polymer networks is designed based on phthalic anhydride, a widely produced and inexpensive chemical. The straightforward sublimation of phthalic anhydride is leveraged to enable a simple and efficient separation process for polymer recycling. To liquefy phthalic anhydride, five mono‐acryloyl‐phthalates are synthesized to obtain stable liquid resins together with phthalic diglycidyl ester. These liquid resins undergo dual‐cure reactions that comprise photopolymerization of acrylate and, subsequently, heat‐mediated epoxy‐acid polymerization reactions. These liquid resins exhibit moderate viscosities (2600–6400 cP @ 22 °C), fast curing, and robust thermomechanical properties (T g s from 71 to 116 °C). It is demonstrated that hydrolysis of the dual‐cured polymers completes within 2 h at 80 °C, and direct sublimation produces phthalic anhydride with 82% yield. This resin system is expected to provide a cost‐competitive, highly efficient platform for recyclable FRCs.

Polymer Science↗
DOE OSTI2024

Evolution of PTCDA-derived seeds prior to graphene nanoribbon growth on Ge(001)

The synthesis of graphene nanoribbons (GNRs) can be realized via CH4 chemical vapor deposition (CVD) on substrates such as Ge(001) that promote highly anisotropic growth kinetics. Small polycyclic aromatic hydrocarbons (PAHs) are first sublimed onto Ge near room temperature to form graphene-like seeds that subsequently initiate GNR growth with CH4 exposure at 1173 K. The behaviors of PAHs in the time in between their sublimation onto Ge and GNR growth are unclear. Here, we study an archetypical PAH, perylene-3,4,9,10-tetracarboxyl acid dianhydride (PTCDA), on Ge(001) using both scanning tunneling microscopy (STM) and density functional theory (DFT) to characterize PAH conformation, surface diffusivity, and clustering, versus temperature. PTCDA becomes mobile above 673 K (consistent with a DFT calculated diffusion barrier of 2.01 eV). The mobile PTCDA molecules meet, cluster, and fuse at Ge step edges. These clusters have an apparent height of 0.4 nm, similar to small graphene islands, and grow laterally with increasing temperature – reaching 1.2 – 2.1 nm in width at 1173 K, consistent with the seed size extrapolated from CVD experiments. These results provide a plausible picture for how PTCDA forms seeds for anisotropic GNR CVD and show that PAHs with reduced surface diffusivity and inter-molecular reactivity are needed to enable more monodisperse PAH-seeded GNR synthesis.

36 MATERIALS SCIENCE↗