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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Noncured Graphene Thermal Interface Materials for High-Power Electronics: Minimizing the Thermal Contact Resistance

We report on experimental investigation of thermal contact resistance, RC, of the noncuring graphene thermal interface materials with the surfaces characterized by different degree of roughness, Sq. It is found that the thermal contact resistance depends on the graphene loading, ξ, non-monotonically, achieving its minimum at the loading fraction of ξ ~15 wt%. Decreasing the surface roughness by Sq~1 μm results in approximately the factor of ×2 decrease in the thermal contact resistance for this graphene loading. The obtained dependences of the thermal conductivity, KTIM, thermal contact resistance, RC, and the total thermal resistance of the thermal interface material layer on ξ and Sq can be utilized for optimization of the loading fraction of graphene for specific materials and roughness of the connecting surfaces. Our results are important for the thermal management of high-power-density electronics implemented with diamond and other wide-band-gap semiconductors.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Experimental Investigation of Ice Accretion Effects on a Swept Wing

An experimental investigation was conducted to study the effects of 2-, 5-, 10-, and 22.5-min ice accretions on the aerodynamic performance of a swept finite wing. The ice shapes tested included castings of ice accretions obtained from icing tests at the NASA Glenn Icing Research Tunnel (IRT) and simulated ice shapes obtained with the LEWICE 2.0 ice accretion code. The conditions used for the icing tests were selected to provide five glaze ice shapes with complete and incomplete scallop features and a small rime ice shape. The LEWICE ice shapes were defined for the same conditions as those used in the icing tests. All aerodynamic performance tests were conducted in the 7- x 10-ft Low-Speed Wind Tunnel Facility at Wichita State University. Six component force and moment measurements, aileron hinge moments, and surface pressures were obtained for a Reynolds number of 1.8 million based on mean aerodynamic chord and aileron deflections in the range of -15o to 20o. Tests were performed with the clean wing, six IRT ice shape castings, seven smooth LEWICE ice shapes, and seven rough LEWICE ice shapes. Roughness for the LEWICE ice shapes was simulated with 36-size grit. The experiments conducted showed that the glaze ice castings reduced the maximum lift coefficient of the clean wing by 11.5% to 93.6%, while the 5-min rime ice casting increased maximum lift by 3.4%. Minimum iced wing drag was 133% to 3533% greater with respect to the clean case. The drag of the iced wing near the clean wing stall angle of attack was 17% to 104% higher than that of the clean case. In general, the aileron remained effective in changing the lift of the clean and iced wings for all angles of attack and aileron deflections tested. Aileron hinge moments for the iced wing cases remained within the maximum and minimum limits defined by the clean wing hinge moments. Tests conducted with the LEWICE ice shapes showed that in general the trends in aerodynamic performance degradation of the wing with the simulated ice shapes were similar to those obtained with the IRT ice shape castings. However, in most cases, the ice castings resulted in greater aerodynamic performance losses than those obtained with the LEWICE ice shapes. For the majority of the LEWICE ice shapes, the addition of 36-size grit roughness to the smooth ice shapes increased aerodynamic performance losses.

Ice shape↗
NASA NTRS1993

(abstract) Examining Sea Ice SAR Signatures in the Arctic

This research examines the seasonal changes of the sea ice cover in the Arctic Basin as it responds to atmospheric and oceanic conditions. Monitoring this process provides a means of determining the onset and extent of the annual seasonal stages, which is thought to be an indicator for detecting climate change in the polar regions. Much of the response of sea ice to seasonal conditions results in changes in the phase of water (both in the ice and snow cover), surface roughness, and internal properties such as air bubbles. Imagery from SAR has proven to be an important tool for revealing these changes since radar backscatter is affected by both surface roughness and dielectric properties of water and salt. The major ice types and ice features may have unique SAR backscatter signatures because of the inherent variations in surface roughness, salinity, and internal properties in each category.

change surface roughness dielectric properties↗
NASA NTRS2022

Evaluation of the Tau-Omega Model Over Bare and Wheat-Covered Flat and Periodic Soil Surfaces at P- and L-band

It has been over ten years since the successful launch of the first-ever dedicated satellite for global soil moisture monitoring; Soil Moisture and Ocean Salinity (SMOS). Looking towards the future, P-band (0.3-1 GHz) is a promising technique to replace or enhance the L-band (1.4 GHz) SMOS and SMAP (Soil Moisture Active Passive) missions because of an expected reduction in roughness and vegetation impact, leading to an improved soil moisture accuracy over rougher soil surfaces and more densely vegetated areas. Accordingly, this investigation evaluated the tau-omega model at P-band (0.75 GHz) using a tower-based experiment in Victoria, Australia, where brightness temperature observations were collected concurrently at P- and L-band over bare and wheat-covered flat and periodic soil surfaces. The potential to retrieve soil moisture without discriminating periodic and flat surfaces was investigated by applying the roughness and vegetation parameters calibrated for flat soil to retrieve the moisture of periodic soil. Results showed that P-band had a comparable RMSE across different roughness configurations (variations less than 0.016 m3/m3) for both bare and wheat-covered soil, while the L-band RMSE was only comparable for wheat-covered soil, indicating that periodic surfaces did not need to be discriminated in such scenarios. Conversely, a difference of 0.022 m3/m3 was observed for L-band with bare soil. A reduced vegetation impact was also demonstrated at P-band, with an RMSE of 0.029 m3/m3 achieved when completely ignoring the wheat existence with under 4-kg/m2 vegetation water content, whereas at L-band the RMSE increased to 0.063 m3/m3. This study therefore paves the way for a successful P-band radiometer mission for obtaining more accurate global soil moisture information.

P-band↗
DOE OSTI2022

Enhanced Laplace Pressures for Functional Surfaces: Wicking, Switchability, and Selectivity

Abstract Wetting functionalities of rough surfaces are largely determined by the Laplace pressure generated across liquid–gas interfaces formed within surface structures. Typically, rough wetting surfaces create negative Laplace pressures, enabling capillary wicking, while rough non‐wetting surfaces create positive Laplace pressures, exhibiting fluid repellency. Here, with microfabricated reentrant structures, it is shown that the same surface can exhibit either a negative or positive Laplace pressure, regardless of its intrinsic wettability. This material‐independent Laplace pressure duality enables or enhances a range of wetting functionalities including wicking, switchability, and selectivity. On the same surface, capillary rise, capillary dip, and the combination of the two which leads to further enhancement of the total sustainable capillary height and Laplace pressure, the driving force for wicking is demonstrated. Further, active switching of wetting states between the hemiwicking and the repellent Cassie state on reentrant structures is shown. Moreover, with a water‐hexane mixture system, selective wetting of reentrant structures are demonstrated, that is, water can be selectively wicked or repelled in the presence of hexane, and vice versa. These functionalities are achieved, which would typically require complex chemical coatings, solely using surface structures, thus largely expanding the design space for a wide range of thermofluidic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Surface engineering to enhance heat generation and joint strength in dissimilar materials AZ31 and DP590 ultrasonic welding

A multiscale simulation approach was developed and employed to optimize the sheet surface conditions for higher interfacial temperature and joint strength in ultrasonic welding of magnesium alloy AZ31 and dual-phase steel DP590. First, a mesoscale model was used to study the relationship between friction coefficient and surface roughness, which can be modified by various engineering methods. Then a macroscopic process model was employed to study the effects of surface roughness on heat generation, indicating that a temperature increase can be achieved with rougher surfaces on two sides of both DP590 and AZ31 sheets. Samples prepared by sanding and filing, as well as grinding, were first characterized for surface roughness and then welded under ultrasonic vibration. An infrared camera was used to measure temperatures in situ for model validation. Overall, lap shear test results for the welded joint showed that the joint strength can be improved by 10~25% using filing and round grinding methods as a result of the enhanced heat generation and mechanical interlocking on the interface.

42 ENGINEERING↗
DOE OSTI2022

Alternating chempolishing and electropolishing for interior and exterior surface finishing of additively manufactured (AM) metal components

Additively manufactured (AM) components’ surface finishing is crucial in adopting them for intended applications in challenging environments involving fatigue, corrosion, high temperature, and nuclear radiation. In our prior research, chempolishing (C) was utilized as an electroless etching process that uniformly smoothens complex AM components’ accessible interior and exterior surfaces (Tyagi et al. Additive Manufacturing, 25:32–38, 22). A wide range of electropolishing (E) has been demonstrated for AM surface finishing. However, electropolishing can impact a surface that can be juxtaposed to counter electrode and can yield a very smooth surface to sub-micrometer level roughness. However, a knowledge gap exists about the impact of applying both approaches on the same surface one after another and what new advantages may arise because of combining two methods. This paper uses dual-stage liquid-based surface finishing strategies produced by alternating the chempolishing (C) and electropolishing (E) steps. Two dual-stage surface finishing approaches, i.e., chempolishing followed by electropolishing (CE) and electropolishing followed by chempolishing (EC), were performed on the 316 stainless AM steel component. Impacts of EC and CE approaches were compared with single-stage C and E surface finishing approaches. An optical microscope and mechanical profilometer were utilized to investigate the wide range of surface roughness parameters. CE and EC produced Ra ~ 1.4 µm and ~ 1.6 µm, respectively. Surface roughness on CE- and EC-treated AM samples was lower than those individually treated by C and E approaches. Scanning electron microscopy provided further insights into the microstructural difference between CE- and EC-treated AM samples. This paper reports a liquid contact angle study on CE- and EC-treated AM samples to provide insights into the relative difference in surface energy that is crucial for making coatings on AM parts. A spectroscopic reflectance study was also employed to register the difference in physical properties of AM components treated with CE and EC approaches. Further, this study reveals industrially practicable interior and exterior surface finishing approaches for complex AM metal components that require minimum tooling and real-time process monitoring.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantifying contributions of ozone changes to global and arctic warming during the second half of the twentieth century

Ozone is the third most important greenhouse gas in driving global warming, mainly due to increased tropospheric ozone. About 50% of the growth of global tropospheric ozone since preindustrial time occurred during 1955–2005, with continued growth since then. Furthermore, this study quantifies the relative contributions of ozone changes during 1955–2005 to total observed global and Arctic climate changes by comparing CESM1 historical simulations with all anthropogenic and natural radiative forcings including realistic ozone changes, and with the same forcings except with constant ozone or well-mixed greenhouse gases (WMGHG). Results indicate that ozone changes during 1955–2005 have strongly enhanced the downwelling longwave flux and increased net shortwave flux at the surface, and thus significantly contributed about 0.15 °C of global mean surface warming, roughly 21%, 26% and 16% of the observed, all-forcing and WMGHG-driven trends, respectively. In the Arctic in the same period, corresponding ozone-driven warming was about 0.63 °C, roughly 48%, 40% and 25% of the same three trends. During 1979–2005, these ozone changes have markedly added about 0.25 × 10 6 km 2 to the decrease in the Arctic sea ice extent (SIE), or roughly 25%, 48%, and 40% of the same three trends. Considering that the ozone-driven radiative forcing of about 0.22 (0.06) W·m –2 in 1955–2005 (1979–2005) was about 12% (6%) of the corresponding WMGHG forcing, ozone changes had contributed disproportionately to global and Arctic warming and Arctic sea ice decline during the second half of the twentieth century. Tropospheric ozone has shown relatively steady growth since 2006 and might have significantly contributed recent observed warming over the global and the Arctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Environmental barrier coatings on SiC without a silicon bond coating: oxidation resistance, failure modes, and future improvements

Environmental barrier coatings (EBCs) are used to mitigate chemical reactions between SiC ceramic matrix composite (CMC) components and the H 2 O in combustion gas in turbine hot sections. CMCs are currently temperature-limited by the Si-bond coating, which melts at ~ 1414 °C. This work explores EBCs where the bond coating was removed to achieve higher operating temperatures. Various versions of enhanced roughness SiC were utilized to improve EBC adhesion to the substrates prior to 1 h furnace cycle testing in steam at 1250–1425 °C. The enhanced SiC roughness resulted in short coating lifetimes as the roughness was oxidized away with SiO 2 formation. Further, isothermal furnace exposures at 1400–1600 °C showed Yb 2 Si 2 O 7 /Yb 2 SiO 5 EBC microstructural changes, resulting in premature debonding from the substrates. Finally, this work provides baseline requirements for the development of both next-generation EBCs and bond coating strategies to overcome the current limitation of the Si-bond coating melting temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Rules for the crystallite size and dislocation density evolution in phases during α-ω transformation in Zr under high-pressure and severe plastic flow

The first in-situ X-ray diffraction (XRD) study of the evolution of the crystallite size and dislocation density in phases during plastic strain-induced phase transformation (PT) is performed utilizing α-ω PT in strongly pre-deformed commercially pure Zr as an important example. Rough diamond anvils (rough-DA) are introduced to intensify all occurring processes during heterogeneous compression of Zr in a diamond anvil cell (DAC). The main rule is found that during α-ω PT the crystallite size and dislocation density in ω-Zr depend solely on the volume fraction of ω-Zr and are independent of pressure, plastic strain tensor, its path, and initial nanostructure. Crystallite size in ω-Zr increases from 10 to 60 nm during the PT, while dislocation density reduces from 1.83×10 15 /m 2 to 0.6×10 15 /m 2 . Rough-DA produce a steady nanostructure in α-Zr before PT with smaller crystallite size and larger dislocation density than smooth-DA, leading to a reduction of the minimum pressure for α-ω PT to a record value 0.67 GPa, 9 times smaller than under hydrostatic loading and 5.1 times lower than the phase equilibrium pressure. In addition to strain, the kinetics of strain-induced PT unexpectedly depends on time. Also, strain-controlled part of kinetics is zero order, in contrast to the first-order kinetics with smooth-DA. The obtained results open a new window for understanding the mutual effects of nanostructure evolution and PT during severe plastic flow in various technological and natural processes. In conclusion, they may bring up economic strategies of producing nanocomposites and single-phase nanostructured materials with optimal properties.

Crystalline size↗
DOE OSTI2022

Effects of surface treatments on ABS mechanical properties from fused filament fabrication

This paper examines the influence of surface treatments on the mechanical properties of acrylonitrile butadiene styrene (ABS) samples printed by fused filament fabrication (FFF). Prior efforts have applied brushing, painting, solvent dipping, infiltration, and vapor smoothing as post-processing surface treatments to improve the mechanical properties of FFF components. Additionally, because FFF can produce components with undesirable surface roughness, mechanical abrasion, epoxy coating, and acetone treatment may increase tensile strength by decreasing stress concentrations. Ridged surface texture may provide desirable tribological or handling properties. Based on these opportunities, this paper investigates abrasive media blasting, epoxy coating, acetone immersion, and ridged texturing surface treatments on the tensile strength and other mechanical properties of FFF ABS samples. ASTM D638-14 Type-I samples were printed, treated on all sample sides, and tested. From tensile tests, the elastic modulus, tensile strength, and fracture strain for both the untreated and treated ABS samples were calculated. For each sample, the surface finish and fracture macromorphology were observed with optical microscopy and the roughness values for the surface finish were calculated from profilometer data. Furthermore, samples were submerged in water and weighed periodically to measure mass changes due to water absorption. From surface profilometry and optical miscopy data, mechanical media blasting, epoxy coating, and immersion in all concentrations of acetone decreased surface roughness. Overall, on average, grit blasting with large beads and epoxy coating led to 2.6% and 1.2% increases in tensile strength, respectively; immersion in 40% acetone led to a 1.9% increase in tensile strength while treatment in 60% and 80% acetone decreased tensile strength by 4.9% and 1.9%, respectively. The study concludes that only grit blasting with large beads, immersion in 60% acetone, and the ridged texture significantly affected the tensile strength.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Insights into Waterflooding in Hydrocarbon-Bearing Nanochannels of Varying Cross Sections from Mesoscopic Multiphase Flow Simulations

Waterflooding is one of the geotechnique used to recover fuel sources from nanoporous geological formations. The scientific understanding of the process that involves the multiphase flow of nanoconfined fluids, however, has lagged, mainly due to the complex nanopore geometries and chemical compositions. To enable benchmarked flow of nanoconfined fluids, the architected geomaterials, such as synthesized mesoporous silica with tunable pore shapes and surface chemical properties, are used for designing and conducting experiments and simulations. This work uses a modified many-body dissipative particle dynamics (mDPD) model with accurately calibrated parameters to perform parametric flow simulations for studying the influences of waterflooding driven power, pore shape, surface roughness, and surface wettability on the multiphase flow in heptane-saturated silica nanochannels. Remarkably, up to 80\% reduction in the effective permeability is found for water-driven heptane flow in a baseline 4.5 nm-wide slit channel, when compared with the Hagen–Poiseuille equation. In the 4.5 nm-wide channels with architected surface roughness, the flow rate is found either higher or lower than the baseline case, depending on the shape and size of cross-sections. High wettability of the solid surface to water is essential for achieving high recovery of heptane, regardless of surface roughness. When the solid surface is less wetting or non-wetting to water, the existence of an optimal waterflooding driven power is found to allow for the highest possible recovery. A detailed analysis on the evolution of the transient water-heptane interface in those nanochannels is presented to elucidate the underlying mechanisms that impact or dictate the multiphase flow behaviors.

58 GEOSCIENCES↗
DOE OSTI2020

Extreme Antiscaling Performance of Slippery Omniphobic Covalently Attached Liquids

Scale formation presents an enormous cost to the global economy. Classical nucleation theory dictates that to reduce the heterogeneous nucleation of scale, the surface should have low surface energy and be as smooth as possible. Past approaches have focused on lowering surface energy via the use of hydrophobic coatings and have created atomically smooth interfaces to eliminate nucleation sites, or both, via the infusion of low-surface-energy lubricants into rough superhydrophobic substrates. Although lubricant-based surfaces are promising candidates for antiscaling, lubricant drainage inhibits their utilization. Here, we develop methodologies to deposit slippery omniphobic covalently attached liquids (SOCAL) on arbitrary substrates. Similar to lubricant-based surfaces, SOCAL has ultralow roughness and surface energy, enabling low nucleation rates and eliminating the need to replenish the lubricant. To enable SOCAL coating on metals, we investigated the surface chemistry required to ensure high-quality functionalization as measured by ultralow contact angle hysteresis (<3°). Using a multilayer deposition approach, we first electrophoretically deposit (EPD) silicon dioxide (SiO 2 ) as an intermediate layer between the metallic substrate and SOCAL. The necessity of EPD SiO 2 is to smooth (<10 nm roughness) as well as to enable the proper surface chemistry for SOCAL bonding. To characterize antiscaling performance, we utilized calcium sulfate (CaSO 4 ) scale tests, showing a 20× reduction in scale deposition rate than untreated metallic substrates. Descaling tests revealed that SOCAL dramatically decreases scale adhesion, resulting in rapid removal of scale buildup. Furthermore, our work not only demonstrates a robust methodology for depositing antiscaling SOCAL coatings on metals but also develops design guidelines for the creation of antifouling coatings for alternate applications such as biofouling and high-temperature coking.

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

Approaching Angstrom-Scale Resolution in Lithography Using Low-Molecular-Mass Resists (<500 Da)

Resists that enable high-throughput and high-resolution patterning are essential in driving the semiconductor technology forward. The ultimate patterning performance of a resist in lithography is limited because of the trade-off between resolution, line-width roughness, and sensitivity; improving one or two of these parameters typically leads to a loss in the third. As the patterned feature sizes approach angstrom scale, the trade-off between these three metrics becomes increasingly hard to resolve and calls for a fundamental rethinking of the resist chemistry. Low-molecular-mass monodispersed metal-containing resists of high atom economy can provide not only very high resolution but also very low line-width roughness without sacrificing sensitivity. Here we describe a modular metal-containing resist platform (molecular mass <500 Da) where a molecular resist consists of just two components: a metal and a radical initiator bonded to it. This simple system not only is amenable to high-resolution electron beam lithography (EBL) and extreme ultraviolet lithography (EUVL) but also unites them mechanistically, giving a consolidated perspective of molecular and chemical processes happening during exposure. Irradiation of the resist leads to the production of secondary electrons that generate radicals in the initiator bonded to metal. This brings about an intramolecular rearrangement and causes solubility switch in the exposed resist. We demonstrate record 1.9–2.0 nm isolated patterns and 7 nm half-pitch dense line-space features over a large area using EBL. With EUVL, 12 nm half-pitch line-space features are shown at a dose of 68 mJ/cm 2 . In both of these patterning techniques, the line-width roughness was found to be ≤2 nm, a record low value for any resist platform, also leading to a low-performance trade-off metric, Z factor, of 0.6 × 10 –8 mJ·nm 3 . With the ultimate resolution limited by instrumental factors, potential patterning at the level of a unit cell can be envisaged, making low-molecular-mass resists best poised for angstrom-scale lithography.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Improving a Multilevel Turbulence Closure Model for a Shallow Lake in Comparison With Other 1-D Models

Lakes differ from lands in water availability, heat capacity, albedo, and roughness, which affect local surface-atmospheric interactions. This study modified a multilevel upper ocean model (UOM) for lake applications and evaluated its performance in Lake Taihu (China) with comprehensive measurements against three popular one-dimensional (1-D) lake models. These models were based on different concepts, including the self-similarity (FLake), the wind-driven eddy diffusion (LISSS), the k-ε turbulence closure (SIMSTRAT), and a simplified turbulence closure (UOM). The surface flux scheme in these models was unified to exclude the discrepancies in representing air-lake exchanges. All models in their default formulations presented obvious cold water temperature biases and largely underestimated the lake surface temperature (LST) diurnal range. For each model, these deficiencies were significantly reduced by incorporating new physics schemes or calibrated tunable parameters based on systematic sensitivity tests. The primary modifications for UOM included (1) a new scheme of decreased surface roughness lengths to better characterize the shallow lake, (2) a solar radiation penetration scheme with increased light extinction coefficient and surface absorption fraction to account for the high water turbidity, and (3) turbulent Prandtl number increased by a factor of 20 to reduce the turbulent vertical mixing. All other models were improved in these three aspects (roughness, extinction, and mixing) within their original formulations. Given these improvements, UOM showed superior performance to other models in capturing LST diurnal cycle and daily to seasonal variations, as well as summer-autumn vertical stratification changes. The new UOM is well suited for application in shallow lakes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The GFDL‐CM4X Climate Model Hierarchy, Part I: Model Description and Thermal Properties

We present the GFDL‐CM4X (Geophysical Fluid Dynamics Laboratory Climate Model version 4X) coupled climate model hierarchy. The primary application for CM4X is to investigate ocean and sea ice physics as part of a realistic coupled Earth climate model. CM4X utilizes an updated MOM6 (Modular Ocean Model version 6) ocean physics package relative to CM4.0, and there are two members of the hierarchy: one that uses a horizontal grid spacing of 0.25° (referred to as CM4X‐p25) and the other that uses a grid 0.125° (CM4X‐p125). CM4X also refines its atmospheric grid from the nominally 100 km (cubed sphere C96) of CM4.0–50 km (C192). Finally, CM4X simplifies the land model to allow for a more focused study of the role of ocean changes to global mean climate. CM4X‐p125 reaches a global ocean area mean heat flux imbalance of -0.02 W m -2 within $\mathcal{O}$ (150) years in a pre‐industrial simulation, and retains that thermally equilibrated state over the subsequent centuries. This 1850 thermal equilibrium is characterized by roughly 400 ZJ less ocean heat than present‐day, which corresponds to estimates for anthropogenic ocean heat uptake between 1870 and present‐day. CM4X‐p25 approaches its thermal equilibrium only after more than 1000 years, at which time its ocean has roughly 1100 ZJ more heat than its early 21st century ocean initial state. Furthermore, the root‐mean‐square sea surface temperature bias for historical simulations is roughly 20% smaller in CM4X‐p125 relative to CM4X‐p25 (and CM4.0). We offer the mesoscale dominance hypothesis for why CM4X‐p125 shows such favorable thermal equilibration properties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Hardening in Au-Ag nanoboxes from stacking fault-dislocation interactions

Porous, nano-architected metals with dimensions down to ~10 nm are predicted to have extraordinarily high strength and stiffness per weight, but have been challenging to fabricate and test experimentally. Here, we use colloidal synthesis to make ~140 nm length and ~15 nm wall thickness hollow Au-Ag nanoboxes with smooth and rough surfaces. In situ scanning electron microscope and transmission electron microscope testing of the smooth and rough nanoboxes show them to yield at 130 ± 45 MPa and 96 ± 31 MPa respectively, with significant strain hardening. A higher strain hardening rate is seen in rough nanoboxes than smooth nanoboxes. Finite element modeling is used to show that the structure of the nanoboxes is not responsible for the hardening behavior suggesting that material mechanisms are the source of observed hardening. Molecular dynamics simulations indicate that hardening is a result of interactions between dislocations and the associated increase in dislocation density.

42 ENGINEERING↗
DOE OSTI2021

Polycrystalline SnSe with a thermoelectric figure of merit greater than the single crystal

Abstract Thermoelectric materials generate electric energy from waste heat, with conversion efficiency governed by the dimensionless figure of merit, ZT. Single-crystal tin selenide (SnSe) was discovered to exhibit a high ZT of roughly 2.2–2.6 at 913 K, but more practical and deployable polycrystal versions of the same compound suffer from much poorer overall ZT, thereby thwarting prospects for cost-effective lead-free thermoelectrics. The poor polycrystal bulk performance is attributed to traces of tin oxides covering the surface of SnSe powders, which increases thermal conductivity, reduces electrical conductivity and thereby reduces ZT. Here, we report that hole-doped SnSe polycrystalline samples with reagents carefully purified and tin oxides removed exhibit an ZT of roughly 3.1 at 783 K. Its lattice thermal conductivity is ultralow at roughly 0.07 W m –1 K –1 at 783 K, lower than the single crystals. The path to ultrahigh thermoelectric performance in polycrystalline samples is the proper removal of the deleterious thermally conductive oxides from the surface of SnSe grains. These results could open an era of high-performance practical thermoelectrics from this high-performance material.

36 MATERIALS SCIENCE↗