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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Clarifying the formation of equiaxed grains and microstructural refinement in the additive manufacturing of Ti-Cu

Controlling microstructural evolution in metallic additive manufacturing (AM) is difficult, especially in producing refined as-built grains instead of coarse, directional grains. Traditional solutions involve adding inoculants to AM feedstocks, but titanium (Ti) alloys cannot employ this approach without producing detrimental secondary phases. Ti-Cu (Ti-copper) alloys offer a solution through constitutional supercooling and/or solid state thermal cycling under AM conditions. This work analyzes a compositionally graded directed energy deposition (DED) Ti-Cu build, single-melt laser tracks, and dilatometric heat treatments to evaluate if, when, and by what mechanism(s) microstructural refinement occurs. Refinement by inoculation of unmelted powder particles was also considered. Constitutional supercooling produced no net microstructural refinement as any equiaxed dendrites which form are remelted with new deposition. This finding agreed with solidification modeling of powder bed fusion-laser beam (PBF-LB) and DED builds. Solid state thermal cycling refined microstructures only during ex-situ dilatometric heat treatments, suggesting build parameter optimization is needed to achieve refinement in-situ. Accidental heterogeneous nucleation on unmelted Ti powder, originating from the different thermophysical properties of Ti and Cu, provided the most significant microstructural refinement. This work systematically assesses the microstructural refinement mechanisms of Ti-Cu in AM builds and offers insights into microstructural control in eutectoid alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Self-consistent hopping theory of activated relaxation and diffusion of dilute penetrants in dense crosslinked polymer networks

We generalize a microscopic statistical mechanical theory of the activated dynamics of dilute spherical penetrants in glass-forming liquids to study the influence of crosslinking in polymer networks on the penetrant relaxation time and diffusivity over a wide range of temperature and crosslink fraction (f n ). Our calculations are relevant to recent experimental studies of a nm-sized molecule diffusing in poly-(n-butyl methacrylate) networks. The theory predicts the penetrant relaxation time increases exponentially with the glass transition temperature, T g (f n ), which grows roughly linearly with the square root of fn due to the coupling of local hopping to longer-range collective elasticity. Moreover, T g is also found to be proportional to a geometric confinement parameter defined as the ratio of the penetrant diameter to the mean network mesh size. The decoupling ratio of the penetrant and Kuhn segment alpha times displays a complex non-monotonic dependence on f n and temperature that is well collapsed based on the variable T g (f n )/T. A model for the penetrant diffusion constant that combines activated relaxation and entropic mesh confinement is proposed, which results in a significantly stronger suppression of mass transport with degree of effective supercooling than predicted for the penetrant alpha time. Furthermore, this behavior corresponds to a new network-based type of “decoupling” of diffusion and relaxation. In contrast to the diffusion of larger nanoparticles in high temperature rubbery networks, our analysis in the supercooled regime suggests that for the penetrants studied the mesh confinement effects are of secondary importance relative to the consequences of crosslink-induced slowing down of activated hopping of glassy physics origin.

Chemistry↗
DOE OSTI2025

High-Density, Low-Hysteresis Storage Using Hydrated Salts in Surface-Functionalized Hydrogels (Final Technical Report)

Nearly 70 years ago, Glauber’s salt was identified as a leading phase change material (PCM) in terms of its heat storage density (~2x paraffin), thermal conductivity (~1W/m·K), safety, availability and cost (~$\$$100/ton). However, the complex issues of supercooling and incongruent melting due to phase separation have prevented realization of the promise. The addition of thickeners and nucleating agents such as borax solve these issues but only over few cycles. This work aims to (a) resolve long-standing challenges with Glauber’s salt as a thermal storage material through a unique materials approach, (b) to characterize the new material’s properties that are relevant to performance and (c) to explore its incorporation into commercial water heaters. The materials concept involves encapsulating the salt in custom-designed, large-mesh hydrogels that enable breakthrough advances. Specifically, (1) the choice of mesh size and polymer chemistry control diffusion of salt/water and help to eliminate phase segregation. With the hydrogel itself occupying <10% volume, there is little loss in storage density compared to another encapsulation. (2) Specific nucleation centers that covalently tether to the hydrogel trigger heterogeneous nucleation, eliminating supercooling-associated hysteresis losses. The fact that they are spatially tethered, prevents the loss in performance over multiple freeze/thaw cycles (>100). We report extensive characterization of the hydrogel complex in terms of its storage density, freezing/melting temperature, cycling losses, rheological properties, aging and thermal conductivity. The novel material developed in this work is a significant advancement over the state-of-art. Finally, we investigate its potential as a thermal storage material for commercial/residential water heating and identify scenarios in which its deployment is advantageous.

25 ENERGY STORAGE↗
DOE OSTI2025

INL_Intern_Poster_ColeBailey [Poster]

Understanding the thermophysical properties of molten salts is crucial for the advancement of nuclear fuels. This project presents the design of a custom differential thermal analyzer (DTA) that utilizes non-contact ultrasonic mixing to agitate samples and prevent supercooling. The supercooling effect occurs when a liquid is below its freezing point without solidifying. This can be observed when a liquid in a freezer instantly transitions to its solid phase upon disturbance. By avoiding this effect, accurate transition temperatures of molten salts can be gathered for future applications. Initial mixing results were promising, leading to further refinement of the waveguides using ABAQUS to maximize input energy into the fluid. Future work will focus on integrating both mixing and cooling in conjunctions to observe the avoided effect.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2021

Evaluation of Formate Salt PCM’s for Latent Heat Thermal Energy Storage

This work examines formate salts as potential phase change materials (PCMs) for middle-high temperature (≤250 °C) latent heat thermal energy storage applications. The thermophysical properties of three formate salts were characterized: pure sodium formate and binary blends of sodium/potassium formate and sodium/calcium formate. The stability of formate PCM’s was evaluated by thermal cycling using differential scanning calorimetry where sodium formate and sodium/potassium formate appeared stable over 600 cycles, while sodium/calcium formate exhibited a monotonic decrease in heat of fusion over the test period. A longer test with sodium formate led to gas release and decomposition of the salt. FTIR analysis of the PCM showed degradation of formate to oxalate. T-history experiments with 50-g PCM quantities demonstrated a bulk supercooling of only 2–3 °C for these salts. Thermal conductivity enhancement of over 700% was achieved by embedding aluminum in the solid PCM. Finally, mild carbon steel was immersed in molten sodium formate for up to 2000 h. Sodium formate was found to be non-corrosive, as calculated by mass loss and confirmed by cross-sectional high-resolution microscopy. FTIR analysis of the PCM after 2000 h shows oxidation at the free surface, while the bulk PCM remained unchanged, further indicating a need to protect the formate from atmospheric exposure when used as a PCM.phase change materials; formate salts; latent heat thermal energy storage; thermal cycling; supercooling; thermal conductivity enhancement; corrosion

25 ENERGY STORAGE↗
DOE OSTI2021

Phase transitions from the fifth dimension

We study the cosmological transition of 5D warped compactifications, from the high-temperature black-brane phase to the low-temperature Randall-Sundrum I phase. The transition proceeds via percolation of bubbles of IR-brane nucleating from the black-brane horizon. The violent bubble dynamics can be a powerful source of observable stochastic gravitational waves. While bubble nucleation is non-perturbative in 5D gravity, it is amenable to semiclassical treatment in terms of a “bounce” configuration interpolating between the two phases. We demonstrate how such a bounce configuration can be smooth enough to maintain 5D effective field theory control, and how a simple ansatz for it places a rigorous lower-bound on the transition rate in the thin-wall regime, and gives plausible estimates more generally. When applied to the Hierarchy Problem, the minimal Goldberger-Wise stabilization of the warped throat leads to a slow transition with significant supercooling. We demonstrate that a simple generalization of the Goldberger-Wise potential modifies the IR-brane dynamics so that the transition completes more promptly. Supercooling determines the dilution of any (dark) matter abundances generated before the transition, potentially at odds with data, while the prompter transition resolves such tensions. We discuss the impact of the different possibilities on the strength of the gravitational wave signals. Via AdS/CFT duality the warped transition gives a theoretically tractable holographic description of the 4D Composite Higgs (de)confinement transition. Our generalization of the Goldberger-Wise mechanism is dual to, and concretely models, our earlier proposal in which the composite dynamics is governed by separate UV and IR RG fixed points. The smooth 5D bounce configuration we introduce complements the 4D dilaton/radion dominance derivation presented in our earlier work.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Multiscale characterization of phase change materials for building thermal energy storage applications

Phase change materials (PCMs) store and release large amounts of thermal energy because of their high latent energy storage capacity. However, long-term cyclic stability, supercooling and performance-scalability are some of the major challenges for their use in building thermal energy storage (TES) applications. Here, in this study, we present a comprehensive multiscale characterization of two commercially available organic PCMs, Puretemp 18 and Puretemp 23. At the microscale, differential scanning calorimetry (DSC) was used to characterize phase change temperature, specific heat, and latent heat. At the mesoscale, a heat flow meter apparatus (HFMA), following the ASTM C1784 standard, was employed to measure the phase change temperature, specific heat, and latent heat properties. A comparative analysis of latent heat as a function of temperature was conducted by integrating the DSC and HFMA results. At the macroscale, the thermal performance and cyclic stability of the TES system was evaluated using Puretemp 23. The TES system consisted of a finned tube heat exchanger with a storage volume of 0.0189 m 3 (5 gal), which represents a compact, real-world TES solution suitable for building energy storage. The results showed consistent thermal stability of the PCM over 200 cycles, and the supercooling temperature remained within 0.2 °C, which was not detected in smaller-scale characterization methods. Additionally, the macroscale testing methodology of the PCM revealed that the TES is able to charge and discharge stored latent energy within 2 h under a temperature differential of 16.67 °C measured between the inlet water temperature and the phase transition temperature of the PCM. The proposed multiscale PCM characterization method provides a systematic basis for comparing important thermal storage properties while also investigating the scalability, reliability and integration challenges in large scale TES applications.

Latent heat↗
DOE OSTI2019

Reentrant glass transition leading to ultrastable metallic glass

Polyamorphs are often observed in amorphous matters, and a representative example is the reentrant glass transition in colloid systems. For metallic amorphous alloys, however, the cases reported so far are limited to metallic glasses (MGs) that undergo electronic transitions under gigapascal applied pressure, or the presence of two liquids at the same composition. In this paper, we report the first observation of a reentrant glass transition in MGs. This unusual reentrant glass transition transforms an MG from its as-quenched state (Glass I) to an ultrastable state (Glass II), mediated by the supercooled liquid of Glass I. Specifically, upon heating to above its glass transition temperature under ambient pressure, Glass I first transitions into its supercooled liquid, which then transforms into a new Glass II, accompanied by an exothermic peak in calorimetric scan, together with a precipitous drop in volume, electrical resistance and specific heat, as well as clear evidence of local structural ordering on the short-to-medium-range scale revealed via in-situ synchrotron X-ray scattering. Atomistic simulations indicate enhanced ordering of locally favored motifs to establish correlations in the medium range that resemble those in equilibrium crystalline compounds. The resulting lower-energy Glass II has its own glass transition temperature higher than that of Glass I by as much as 50 degrees. This route thus delivers a thermodynamically and kinetically ultrastable MG that can be easily retained to ambient conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermodynamic and Kinetic Transitions of Liquids in Nanoconfinement

Core principles of chemistry are ubiquitously invoked to shed light on the nature of molecular level interactions in nanoconfined fluids, which play a pivotal role in a wide range of processes in geochemistry, biology, and engineering. A detailed understanding of the physicochemical processes involved in the flow, structural transitions, and freezing or melting behavior of fluids confined within nanometer-sized pores of solid materials is thus of enormous importance for both basic research and technological applications. This Account provides a perspective on new insights into the thermodynamic and kinetic transitions of nanoconfined fluids in their stable and metastable forms. After briefly introducing the unique properties of mesoporous silicas from the SBA, MCM, and FDU families that serve as the confinement matrices, combining highly ordered single and bimodal mesopore architectures with tunable pore sizes in the ~2-15 nm range and narrow size distributions, recent studies on melting/freezing behavior of water confined in these host matrices are reviewed. While differential scanning calorimetry (DSC) reveals a linear relationship between melting point depression and pore size (independent of the pore shape), as predicted by the Gibbs-Thomson relation, variable temperature 2 H wide-line nuclear magnetic resonance (NMR) spectroscopy studies confirm the core-shell model of water and give evidence for a layer-by-layer freezing mechanism, which gives rise to an apparent fragile-to-strong transition in the solidification dynamics. In contrast to the freezing/melting behavior of water, the effect of nanoconfinement on the glass transition of supercooled liquids is nonuniversal and the glass transition temperature T g can either increase or decrease with the dimensionality and extent of confinement. This nonuniversal behavior is exemplified by the two glass-forming molecular liquids, glycerol and ortho-terphenyl (OTP). While glycerol shows an increase in T g and a pronounced slowdown of the rotational dynamics of the constituent molecules due to a change in the molecular packing between the bulk and the confined liquid, OTP displays a linear and confining-media-dependent depression of T g with increased confinement that is strongly influenced by the pore-liquid interface characteristics. This Account concludes with a focus on recent experimental evidence of extreme spatial and dynamical heterogeneity in both freezing and glass transition processes. This discovery was enabled by the unique mesoporous structures of SBA-16 and FDU-5, possessing bimodal architectures with two interconnected pore types of different size and shape (spherical and cylindrical). For the very first time, two melting points for water and two glass transitions for supercooled OTP, corresponding to a specific pore type, were observed. Collectively, these observations strongly suggest a close mechanistic connection between the local fluctuations in the structure and dynamics of nanoconfined liquids. Finally, while the findings reviewed in this Account provide new insights into thermodynamic and kinetic transitions of fluids, there remain many unanswered questions regarding the effects of nanoconfinement on the fundamental properties of fluids, which offer exciting future opportunities in chemical research.

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

Self-Consistent Theory for Structural Relaxation, Dynamic Bond Exchange Times, and the Glass Transition in Polymeric Vitrimers

Here, we formulate a statistical mechanical theory for how dynamic bond exchange influences the activated hopping-driven relaxation of Kuhn segments in dynamically cross-linked networks or vitrimers over a wide range of temperatures and cross-link densities. The key new methodological aspect is to address in a self-consistent manner the dynamic consequences of bond exchange on the Kuhn segmental alpha relaxation, and vice versa. The predicted temperature dependence of the segmental alpha time of vitrimers at high temperatures remains the same as that of permanent networks, but at lower temperatures, a significant acceleration of relaxation occurs due to bond exchanges. From a mechanistic perspective, the vitrimer local cage barrier is very weakly affected by bond exchange, while the collective elastic barrier contribution decreases significantly in the deeply supercooled regime. The vitrimer glass transition temperature is predicted to grow linearly with the square root of the cross-link density, as previously found for permanent networks. Material-specific chemical effects such as cross-linker size relative to that of the normal Kuhn segment or special attraction of a cross-linker with polymers are crudely considered based on model calculations. The theory is quantitatively applied to recent experiments on dry ethylene vitrimers. Good agreements are found including that the bond exchange time follows an Arrhenius law at high enough temperatures but upward non-Arrhenius deviations emerge in the deeply supercooled regime, and a collapsed master curve of the segment alpha time exists over a wide range of cross-link densities and temperatures. Possible extensions to treat dynamic heterogeneity effects and penetrant transport in vitrimers are briefly discussed.

chemical calculations↗
DOE OSTI2025

Molecular Dynamics Simulation and Theoretical Analysis of Structural Relaxation, Bond Exchange Dynamics, and Glass Transition in Vitrimers

Vitrimers are a class of polymer networks featuring dynamic covalent cross-links that can undergo associative bond exchange. There has been recent interest in these materials due to their promise as recyclable thermosets or self-healing polymers because of the ability of vitrimer networks to rearrange at the molecular level and undergo macroscopic flow. However, the practical use of these materials often occurs in the supercooled regime or glassy state, where the implications of dynamic bonds are complicated by the interplay between slow activated segmental dynamics, cross-link (i.e., bond-exchange) kinetics, and ultimately material properties. Here, in this paper, we combine coarse-grained molecular dynamics simulation and microscopic statistical mechanical theory to understand how cross-linking kinetics affect material dynamics and how this couples to segmental relaxation of the polymeric network strands across a spectrum of length and time scales, especially in the supercooled regime. We characterize the Kuhn segmental alpha relaxation time and bond exchange time for vitrimer systems across various cross-link densities, temperatures, and bond exchange rates. Simulation and theory both exhibit a bending-up behavior for bond exchange time upon cooling, suggesting a coupling between bond exchange dynamics and segmental relaxation that intensifies with faster bond exchange kinetics. We also found bond exchange dynamics have an impact on Kuhn segment alpha relaxation time, which is most significant at higher cross-link densities. Both these effects are most prominent when the bond exchange time is similar to the Kuhn segment alpha relaxation time, and the resulting coupling of these two relaxation processes is tied to both the probability of a free end to find a bonded pair and the time scale of the constraints imposed by the dynamic cross-links. This relationship is reflected by a cross-link dependence of a theoretical parameter which represents the quantitative degree of coupling between bond exchange and segmental dynamics. Overall, the combination of simulation and theory clarifies the intricate interaction between bond kinetics and segmental relaxation and demonstrates the ability to provide molecular-level insights into vitrimer dynamics over a wide temperature range.

dynamic relaxation↗
DOE OSTI2021

Challenging and Improving the Simulation of Mid-Level Mixed-Phase Clouds Over the High-Latitude Southern Ocean

Climate models exhibit major radiative biases over the Southern Ocean owing to a poor representation of mixed-phase clouds. In this study, we used the remote-sensing dataset from the Measurements of Aerosols, Radiation and Clouds over the Southern Ocean (MARCUS) campaign to assess the ability of the Weather Research and Forecasting (WRF) model to reproduce frontal clouds off Antarctica. It focuses on the modeling of thin mid-level supercooled liquid water layers which precipitate ice. The standard version of WRF produces almost fully glaciated clouds and cannot reproduce cloud top turbulence. Our work demonstrates the importance of adapting the ice nucleation parameterization to the pristine austral atmosphere to reproduce the supercooled liquid layers. Once simulated, droplets significantly impact the cloud radiative effect by increasing downwelling longwave fluxes and decreasing downwelling shortwave fluxes at the surface. The net radiative effect is a warming of snow and ice covered surfaces and a cooling of the ocean. Despite improvements in our simulations, the local turbulent circulation related to cloud-top radiative cooling is not properly reproduced, advocating for the need to develop a parameterization for top-down convection to capture the turbulence-microphysics interplay at cloud top.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Mixed‐Phase Clouds Over the Southern Ocean as Observed From Satellite and Surface Based Lidar and Radar

Abstract This study investigates the occurrence of mixed‐phase clouds (MPC, i.e., cloud layers containing both liquid and ice water at sub‐freezing temperatures) over the Southern Ocean (SO) using space‐ and surface‐based lidar and radar observations. The occurrence of supercooled clouds is dominated by geometrically thin (<1 km) layers that rarely contain ice. We diagnose layers that are geometrically thicker than 1 km to contain ice ~65% and ~4% of the time from below by surface remote sensors and from above by orbiting remote sensors, respectively. We examine the discrepancy in MPC occurrence statistics as diagnosed from below and above the cloud layer. From above, we find that MPC occurrence has a gradient associated with the Antarctic Polar Front near 55°S with a rare occurrence of satellite‐derived MPC south of that latitude. In contrast, surface sensors find ice in 33% of supercooled liquid water layers. We infer using observing system simulation experiments and data analysis that space‐based lidar cannot identify the occurrence of MPC except when secondary ice‐forming processes operate in convection that is, sufficiently strong to loft ice crystals to cloud tops. We conclude that the CALIPSO phase statistics of MPC have a severe low bias in MPC occurrence. Based on surface‐based statistics in the SO, we present a parameterization of the frequency of MPC as a function of cloud top temperature that differs substantially from that used in recent climate model simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Occurrence of Warm Freezing Rain: Observation and Modeling Study

Freezing rain has been normally considered to be composed of supercooled raindrops when the 2 m air temperature (hereafter T as ) is below freezing. However, according to a statistical survey of freezing rain observations in China from 2000 to 2019, we find that there were 656 events that occurred at T as greater than 0°C (hereafter warm freezing rain and denoted by WFR), which account for 7% of the total freezing rain observations. Additionally, nearly 3% (266 observations) of freezing rain events occurred when the near-surface wet-bulb temperature was greater than 0°C. The modeling and sensitivity experiments on the nonequilibrium raindrop temperature (hereafter T r ) how that the temperature difference between raindrops and the atmosphere is the main cause of WFR. The magnitudes of the Δ T ar (difference between raindrop temperature T r and air temperature T a ) and Δ T ur (difference between T r and wet-bulb temperature T w ) are determined by the raindrop diameter D, temperature lapse rate $\Gamma$, and relative humidity RH. Increases of D and $\Gamma$, and a decrease of RH enhance Δ T ar and Δ T ur and thus the occurrence of WFR. Further simulations of 4 idealized and 370 real sounding profiles reveal that either the T a or the T w cannot properly distinguish the WFR events. When considering the temperature difference between raindrops and the atmosphere, the WFR can form by the “melting of solid hydrometeors” or “supercooled warm rain process.” This study can also deepen our understanding of the conditions of WFR and freezing rain formation at different altitudes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Evaluating Cloud Properties at Scott Base: Comparing Ceilometer Observations With ERA5, JRA55, and MERRA2 Reanalyses Using an Instrument Simulator

This study compares CL51 ceilometer observations made at Scott Base, Antarctica, with statistics from the ERA5, JRA55, and MERRA2 reanalyses. To enhance the comparison we use a lidar instrument simulator to derive cloud statistics from the reanalyses which account for instrumental factors. The cloud occurrence in the three reanalyses is slightly overestimated above 3 km, but displays a larger underestimation below 3 km relative to observations. Unlike previous studies, we see no relationship between relative humidity and cloud occurrence biases, suggesting that the cloud biases do not result from the representation of moisture. We also show that the seasonal variation of cloud occurrence and cloud fraction, defined as the vertically integrated cloud occurrence, are small in both the observations and the reanalyses. We also examine the quality of the cloud representation for a set of weather states derived from ERA5 surface winds. The variability associated with grouping cloud occurrence based on weather state is much larger than the seasonal variation, highlighting weather state is a strong control of cloud occurrence. All the reanalyses continue to display underestimates below 3 km and overestimates above 3 km for each weather state. But the variability in ERA5 statistics matches the changes in the observations better than the other reanalyses. We also use a machine learning scheme to estimate the quantity of supercooled liquid water cloud from the ceilometer observations. Ceilometer low-level supercooled liquid water cloud occurrences are considerably larger than values derived from the reanalyses, further highlighting the poor representation of low-level clouds in the reanalyses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Exposing and Reducing Biases of Simulating Mixed-Phase Clouds in the Convection-Permitting E3SM Atmosphere Model: Lessons From an Arctic Cold-Air Outbreak

Mixed-phase clouds modulate the water and energy cycles of high-latitude regions, yet their liquid-ice phase partitioning has long been poorly simulated in climate models. Here, simulations of Arctic mixed-phase clouds by the Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM) are assessed against large-eddy simulations, satellite data, and ground-based observations during the Cold-Air Outbreaks in the Marine Boundary Layer Experiment field campaign. SCREAM simulates nearly completely frozen clouds, which is attributed largely to the unreasonably strong Wegener–Bergeron–Findeisen (WBF) process that converts liquid to ice excessively and partly to the early over-abundant ice production at cold temperatures from a temperature-deterministic deposition ice nucleation scheme. Assuming no subgrid variation for the WBF process in the original formulation particularly conflicts with the instantaneous saturation adjustment assumption in the condensation scheme that assumes subgrid variability, leading to exaggerated WBF process rates. A proposed simple physically-based improvement on the treatment of subgrid cloud overlap substantially increases supercooled liquid water content and notably improves cloud-top phase partitioning, aligning better with observations. Improvement of supercooled liquid water content also converges with increasing horizontal resolution. The deposition ice nucleation scheme is found responsible for a falsely-produced ice cloud aloft that is not observed, biasing the simulated cloud radiative effects and top-of-atmosphere radiative fluxes. This study identifies key deficiencies in cloud parameterizations that continue to challenge convection-permitting models.

Geosciences↗
DOE OSTI2020

Electrochemical generation of liquid and solid sulfur on two-dimensional layered materials with distinct areal capacities

It has recently been shown that sulfur, a solid material in its elementary form S8, can stay in a supercooled state as liquid sulfur in an electrochemical cell. We establish that this newly discovered state could have implications for lithium–sulfur batteries. Here, through in situ studies of electrochemical sulfur generation, we show that liquid (supercooled) and solid elementary sulfur possess very different areal capacities over the same charging period. To control the physical state of sulfur, we studied its growth on two-dimensional layered materials. We found that on the basal plane, only liquid sulfur accumulates; by contrast, at the edge sites, liquid sulfur accumulates if the thickness of the two-dimensional material is small, whereas solid sulfur nucleates if the thickness is large (tens of nanometres). Correlating the sulfur states with their respective areal capacities, as well as controlling the growth of sulfur on two-dimensional materials, could provide insights for the design of future lithium–sulfur batteries.

36 MATERIALS SCIENCE↗