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At least 217 records · Page 12

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DOE OSTI2022

Nanoscale imaging of phonon dynamics by electron microscopy

Spatially resolved vibrational mapping of nanostructures is indispensable to the development and understanding of thermal nanodevices, modulation of thermal transport and novel nanostructured thermoelectric materials. Through the engineering of complex structures, such as alloys, nanostructures and superlattice interfaces, one can significantly alter the propagation of phonons and suppress material thermal conductivity while maintaining electrical conductivity. There have been no correlative experiments that spatially track the modulation of phonon properties in and around nanostructures due to spatial resolution limitations of conventional optical phonon detection techniques. Here we demonstrate two-dimensional spatial mapping of phonons in a single silicon–germanium (SiGe) quantum dot (QD) using monochromated electron energy loss spectroscopy in the transmission electron microscope. Tracking the variation of the Si optical mode in and around the QD, we observe the nanoscale modification of the composition-induced red shift. We observe non-equilibrium phonons that only exist near the interface and, furthermore, develop a novel technique to differentially map phonon momenta, providing direct evidence that the interplay between diffuse and specular reflection largely depends on the detailed atomistic structure: a major advancement in the field. Our work unveils the non-equilibrium phonon dynamics at nanoscale interfaces and can be used to study actual nanodevices and aid in the understanding of heat dissipation near nanoscale hotspots, which is crucial for future high-performance nanoelectronics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Demonstration of a MOT in a sub-millimeter membrane hole

Abstract We demonstrate the generation of a cold-atom ensemble within a sub-millimeter diameter hole in a transparent membrane, a so-called “membrane MOT”. With a sub-Doppler cooling process, the atoms trapped by the membrane MOT are cooled down to 10 $$\upmu$$ μ K. The atom number inside the unbridged/bridged membrane hole is about $$10^4$$ 10 4 to $$10^5$$ 10 5 , and the $$1/e^2$$ 1 / e 2 -diameter of the MOT cloud is about 180 $$\upmu$$ μ m for a 400 $$\upmu$$ μ m-diameter membrane hole. Such a membrane device can, in principle, efficiently load cold atoms into the evanescent-field optical trap generated by the suspended membrane waveguide for strong atom-light interaction and provide the capability of sufficient heat dissipation at the waveguide. This represents a key step toward the photonic atom trap integrated platform (ATIP).

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Bio-inspired multiscale design for perovskite solar cells

Metal halide perovskite semiconductors have attractive light-harvesting and charge-carrier transport properties for photovoltaics. Perovskite solar cells (PSCs) and modules have demonstrated their commercial promise with high power conversion efficiencies, but still face stability challenges. In this Review, we explore how biomaterials offer design inspiration for the development of durable and efficient PSCs at three different scales. At the molecular level, bio-inspired molecular interactions are harnessed towards crystallization control and degradation prevention, which offers an enhancement in long-term maximum-power-point tracking stability. At the microstructural level, self-healing and strength-enhancing strategies, utilizing dynamic bonds and interfacial reinforcement, can help PSCs to recover from physical damage and maintain high performance. At the device level, macroscopic functionalities, such as moth-eye-inspired structures tailored to different layers, can collectively enable antireflection, radiative cooling and self-cleaning to optimize light management, heat dissipation and encapsulation in PSCs. Bio-inspired PSC research can combine improved efficiency and lifetime, with abundant, biocompatible alternatives to conventional stabilizers. Future efforts should focus on screening bioinspired molecules to optimize film crystallization and stability, developing self-healing mechanisms triggered by operational stress, designing cost-efficient biomicrostructures, and integrating multifunctional encapsulation to enhance the efficiency and lifespan of PSCs.

Duan, Tianwei↗

DOE OSTI2022

Exploiting heat transfer to achieve efficient photoelectrochemical CO 2 reduction under light concentration

Photoelectrochemical (PEC) conversion of carbon dioxide into valuable chemicals and fuels represents a promising path towards combating anthropogenic CO 2 emissions. However, the limited conversion efficiencies, operation lifetimes and CO 2 utilization efficiencies of PEC devices currently prohibit their application beyond the laboratory scale. Here, a wireless device converting CO 2 and water into carbon monoxide and hydrogen at a peak solar conversion efficiency exceeding 16% under an illumination intensity of 5 suns is demonstrated. A CO/H 2 product ratio between 10–20 is measured during a 17 h stability test. Fluctuations in device performance are rigorously analyzed via deconvolution of electrochemical and photoabsorber contributions. Furthermore, it is demonstrated that beneficial heat dissipation is enabled by wireless integration of the photoabsorber and electrocatalyst components, accounting for roughly 10% of the achieved conversion efficiency, an achievement unattainable with physically separated photoabsorber and electrolyzer components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Vanadium oxide coatings to self-regulate current sharing in high-temperature superconducting cables and magnets

High-temperature superconductors such as REBa 2 Cu 3 O 7-δ (REBCO, RE = rare earth) enable high-current cables and high-field magnets. By removing the turn-to-turn insulation in a magnet application, recent experiments demonstrated that REBCO magnets can self-protect against catastrophic damage during a superconducting-to-normal transition (quench), i.e., when the stored magnetic energy rapidly converts to heat. The current can bypass the hot spot during a quench, thereby reducing the localized heat dissipation. The removal of the insulation between turns, however, leads to excessive eddy currents during current ramping, thereby forcing a much-prolonged magnet charging time. To address this issue, we investigate vanadium oxide (VO x ) coatings as a temperature-dependent self-switching medium that automatically manages current sharing. VO x coatings (with 1.70 ≤ × ≤ to 2.07) were deposited by reactive cathodic arc deposition, initially on insulating glass to determine the electrical properties, and later on commercial REBCO tapes. The coatings are x-ray amorphous but with a short-range crystalline ordering according to Raman spectrometry. The resistivity of VO x decreased by at least three orders of magnitude when the temperature increased from 80 to 300 K. The coating process is compatible with commercial REBCO tapes as evidenced by the negligible change in the critical current caused by the coating process. Here, the results from current sharing experiments and circuit analysis suggest that the VO x coating can effectively self-regulate current sharing in REBCO magnets, suppress excessive eddy currents, and enable self-protection during quenches.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Thin THz QCL active regions for improved continuous-wave operating temperature

We compare the performance of 10 and 5 μm thick metal–metal waveguide terahertz quantum-cascade laser ridges operating around 2.7 THz and based on a 4-well phonon depopulation active region design. Thanks to reduced heat dissipation and lower thermal resistance, the 5 μm thick material shows an 18 K increase in continuous wave operating temperature compared to the 10 μm material, despite a lower maximum pulsed-mode operating temperature and a larger input power density. A maximum continuous wave operating temperature of 129 K is achieved using the 5 μm thick material and a 15 μm wide ridge waveguide, which lased up to 155 K in the pulsed mode. The use of thin active regions is likely to become increasingly important to address the increasing input power density of emerging 2- and 3-well active region designs that show the highest pulsed operating temperatures.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

High thermal conductivity and ultrahigh thermal boundary conductance of homoepitaxial AlN thin films

Wurtzite aluminum nitride (AlN) has attracted increasing attention for high-power and high-temperature operations due to its high piezoelectricity, ultrawide-bandgap, and large thermal conductivity k. The k of epitaxially grown AlN on foreign substrates has been investigated; however, no thermal studies have been conducted on homoepitaxially grown AlN. In this study, the thickness dependent k and thermal boundary conductance G of homoepitaxial AlN thin films were systematically studied using the optical pump–probe method of frequency-domain thermoreflectance. Our results show that k increases with the thickness and k values are among the highest reported for film thicknesses of 200 nm, 500 nm, and 1 μm, with values of 71.95, 152.04, and 195.71 W/(mK), respectively. Our first-principles calculations show good agreement with our measured data. Remarkably, the G between the epilayer and the substrate reported high values of 328, 477, 1180, and 2590 MW/(m 2 K) for sample thicknesses of 200 nm, 500 nm, 1 μm, and 3 μm, respectively. The high k and ultrahigh G of homoepitaxially grown AlN are very promising for efficient heat dissipation, which helps in device design and has advanced applications in micro-electromechanical systems, ultraviolet photonics, and high-power electronics.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Imaging nanoscale carrier, thermal, and structural dynamics with time-resolved and ultrafast electron energy-loss spectroscopy

Time-resolved and ultrafast electron energy-loss spectroscopy (EELS) is an emerging technique for measuring photoexcited carriers, lattice dynamics, and near-fields across femtosecond to microsecond timescales. When performed in either a specialized scanning transmission electron microscope or ultrafast electron microscope (UEM), time-resolved and ultrafast EELS can directly image charge carriers, lattice vibrations, and heat dissipation following photoexcitation or applied bias. Yet, recent advances in theoretical calculations and electron optics are often required to realize the full potential of ultrafast EEL spectrum imaging. Here, in this review, we present a comprehensive overview of the recent progress in the theory and instrumentation of time-resolved and ultrafast EELS. We begin with an introduction to the technique, followed by a physical description of the loss function. We outline approaches for calculating and interpreting ground-state and transient EEL spectra spanning low-loss plasmons to core-level excitations analogous to x-ray absorption. We then survey the current state of time-resolved and ultrafast EELS techniques beyond photon-induced near-field electron microscopy, highlighting abilities to image carrier and thermal dynamics. Finally, we examine future directions enabled by emerging technologies, including electron beam monochromation, in situ and operando cells, laser-free UEM, and high-speed direct electron detectors. These advances position time-resolved and ultrafast EELS as a critical tool for uncovering nanoscale dynamic processes in quantum materials and solar energy conversion devices.

Computational methods↗

DOE OSTI2020

Enhancement of Thermal Conductivity of Bentonite Buffer Materials with Copper Wires/Meshes for High-Level Radioactive Waste Disposal

In high-level radioactive waste disposal, a heat-generating waste canister is generally encased with a layer of bentonite-based buffer material acting as an engineered barrier to limit water percolation and radionuclide release. The low thermal conductivity of bentonite (~0.5 W/m∙K) combined with a high thermal loading waste package may result in a high surface temperature on the package that can potentially impact the structural integrity of the package itself as well as the surrounding buffer material. We show in this paper that the thermal conductivity of bentonite can be effectively enhanced by embedding copper wires/meshes across the buffer layer to form fully connected high heat conduction pathways. A simple calculation based on Rayleigh’s model shows that a required thermal conductivity of 5 W/m∙K for effective heat dissipation can be achieved simply by adding ~1 vol % of copper wires/meshes into bentonite. As a result, the peak surface temperature on a large waste package such as a dual-purpose canister can be reduced by up to 300°C, leading to a significant reduction in the surface storage time for waste cooling and therefore the overall cost for direct disposal of such waste packages. Because of the ensured full thermal percolation across the buffer layer, copper wires/meshes turn out to be much more effective than any other materials currently suggested (such as graphene or graphite) in enhancing the thermal conductivity of buffer material. Furthermore, the embedded copper wires/meshes can help reinforce the mechanical strength of the buffer material, thus preventing the material from a potential erosion by a possible intrusion of dilute groundwater.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Three-dimensional modelling of a self-sustained atmospheric pressure glow discharge

The atmospheric pressure glow discharge (APGD) is a relatively simple and versatile plasma source used in diverse applications. Stable APGD operation at high currents, generally a challenge due to instabilities leading to glow-to-arc transition, has been demonstrated using actively-controlled cathodic cooling. This article presents the computational modelling and simulation of a self-sustained direct-current APGD in helium within a 10 mm pin-to-plate inter-electrode gap for currents ranging from 4 to 40 mA. The APGD model is comprised of the conservation equations for total mass, chemical species, momentum, thermal energy of heavy-species and of free electrons, and electric charge. The model equations are discretized using a nonlinear variational multi-scale finite element method that has demonstrated superior accuracy in other plasma flow problems, on a temporal and three-dimensional computational domain suitable to unveil the potential occurrence of instabilities. Modelling results show good agreement with experimental measurements of voltage drop and the same trend but higher values of temperature. The higher temperatures obtained by the simulations appear to be due to the absence of a near-cathode heat dissipation model. Here, the results also reveal that the distribution of electron density and of the ratio of atomic helium ions to total ions transitions from monotonically increasing away from the cathode to presenting a minimum near the centre of the gap with increasing current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Advances in Nb 3 Sn superconducting radiofrequency cavities towards first practical accelerator applications

Abstract Nb 3 Sn is a promising next-generation material for superconducting radiofrequency cavities, with significant potential for both large scale and compact accelerator applications. However, so far, Nb 3 Sn cavities have been limited to continuous wave accelerating fields <18 MV m −1 . In this paper, new results are presented with significantly higher fields, as high as 24 MV m −1 in single cell cavities. Results are also presented from the first ever Nb 3 Sn-coated 1.3 GHz 9-cell cavity, a full-scale demonstration on the cavity type used in production for the European XFEL and LCLS-II. Results are presented together with heat dissipation curves to emphasize the potential for industrial accelerator applications using cryocooler-based cooling systems. The cavities studied have an atypical shiny visual appearance, and microscopy studies of witness samples reveal significantly reduced surface roughness and smaller film thickness compared to typical Nb 3 Sn films for superconducting cavities. Possible mechanisms for increased maximum field are discussed as well as implications for physics of RF superconductivity in the low coherence length regime. Outlook for continued development is presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Variations in lithium vapor cave performance predictions due to radial transport and recycling assumptions

The lithium vapor cave is a detached divertor design that uses a single private flux region baffle to contain a dense cloud of lithium vapor to dissipate heat flux. Plasma flows are created via fuel gas puffing in order to minimize lithium contamination of the main plasma. Significant modeling using the 2D edge code SOLPS-ITER has already been performed, predicting that sufficient target heat flux reductions (q$^{max}_{Target}$ MW m −2 ) with ( $n$ Li /$n$ e ) LCFS < 0.05 is possible in a case with 90 MW m −2 unmitigated heat flux in NSTX-U. Low heat flux and low upstream concentration was found with a variety of combinations of divertor geometries, target recycling coefficients, upstream plasma parameters, lithium evaporation locations and deuterium fueling locations, with variations in performance found for each design choice. However, the most universal uncertainty of SOLPS-ITER simulations has until now remained unaddressed systematically, namely the cross-field anomalous particle and heat diffusivities. This article aims to bound the uncertainty in lithium concentration prediction as a result of the assumed deuterium cross-field transport and recycling. For the simulations presented here, a factor of 2.1 increase in the upstream lithium density prediction across a factor of four decrease to the assumed deuterium radial particle diffusivity is found. This result is compared across different assumed deuterium recycling coefficients, known to reduce with lithium injection. Upstream lithium density is found to vary by a factor of 2.4 across a feasible range of recycling coefficients at similar $n$$^{OMP,sep}_{e}$.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Quasiparticle Spectroscopy, Transport, and Magnetic Properties of Nb Films Used in Superconducting Qubits

Niobium thin films on silicon substrate used in the fabrication of superconducting qubits have been characterized using scanning and transmission electron microscopy, electrical transport, magnetization, the London penetration depth - based quasiparticle spectroscopy, and real-space real-time magneto-optical imaging. Here we study niobium films to provide an example of a comprehensive analytical set that may benefit superconducting circuits such as those used in quantum computers. The films have a superconducting transition temperature of T c = 9.35 K and a fairly clean superconducting gap. The estimated superfluid density is enhanced at intermediate temperatures. These observations are consistent with the recent theory of anisotropic strong-coupling superconductivity in Nb and indicate outstanding quality. However, the response to the magnetic field is complicated, exhibiting significantly irreversible behavior and insufficient heat dissipation (to a substrate), leading to thermomagnetic instabilities. This may present a challenge for further improvement of transmon quantum coherence. Possible mitigation strategies are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Analytical model and dynamical phase-field simulation of terahertz transmission across ferroelectrics

Here, we theoretically investigate the steady-state transmission of continuous terahertz (THz) wave across a freestanding ferroelectric slab. Based on the Landau-Ginzburg-Devonshire theory of ferroelectrics and the coupled equations of motion for polarization and electromagnetic (EM) waves, we derive the analytical expressions of the frequency- and thickness-dependent dielectric susceptibility and transmission coefficient at the thin slab limit in the harmonic excitation regime. When the slab thickness is much smaller than the THz wavelength in the ferroelectric, the analytical predictions agree well with the numerical simulations from a dynamical phase-field model that incorporates the coupled dynamics of strain, polarization, and EM wave in multiphase systems. At larger thicknesses, the transmission is mainly determined by the frequency-dependent attenuation of THz waves in the ferroelectric and the formation of a standing polarization/THz wave. Our results advance the understanding of the interaction between THz wave and ferroelectrics and suggest the potential of exploiting ferroelectrics to achieve low-heat-dissipation, nonvolatile voltage modulation of THz transmission for high-data-rate wireless communication.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Giant Isotope Effect of Thermal Conductivity in Silicon Nanowires

Isotopically purified semiconductors potentially dissipate heat better than their natural, isotopically mixed counterparts as they have higher thermal conductivity (κ). But the benefit is low for Si at room temperature, amounting to only ~10% higher κ for bulk 28 Si than for bulk natural Si ( nat Si). Here we show that in stark contrast to this bulk behavior, 28 Si (99.92% enriched) nanowires have up to 150% higher κ than nat Si nanowires with similar diameters and surface morphology. Using a first-principles phonon dispersion model, this giant isotope effect is attributed to a mutual enhancement of isotope scattering and surface scattering of phonons in nat Si nanowires, correlated via transmission of phonons to the native amorphous SiO 2 shell. The Letter discovers the strongest isotope effect of κ at room temperature among all materials reported to date and inspires potential applications of isotopically enriched semiconductors in microelectronics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Thermal and Mechanical Design of a High-Voltage Power Electronics Package

This paper presents the thermal and mechanical design aspects of a power electronics package with 5-kV GaN devices. Through finite element analyses, we investigated the impact of different cooling configurations and device locations on the thermal performance and reliability of the package. We found that placing the devices closer to the direct bond copper substrate as opposed to a centered approach in the proposed double-sided cooling configuration resulted in improved heat dissipation. This approach also reduced the total number of attachment layers, thereby likely improving the reliability of the package. Furthermore, simulations revealed that the device location had a negligible impact on the thermomechanical behavior of the attachment layers, as they are more prone to the local coefficient of thermal expansion mismatch.

electronic packaging↗

DOE OSTI2021

Reliability Analysis of Large-Area, Low Pressure-Assisted Silver Sintering for Medium-Voltage Power Modules

Multi-layer insulating ceramic substrates can enable medium-voltage (MV) power modules with reduced peak electric field. This benefit is particularly important for MV silicon carbide (SiC) MOSFETs due to their higher operating voltages. Large-area, low-pressure assisted silver sintering is a potential solution for bonding substrates to create a multi-layer structure. The voiding content and defect density of the bond used to create the multi-layer substrate stack-up is critical to the reliability of the power module and the thermal performance, as this bond is in the primary path for heat dissipation in the power module structure. Here, samples of two-layer direct bonded aluminum (DBA) stacks have been fabricated and subjected to thermal cycling to analyze their reliability. Passive thermal cycling from -40 degrees C to 200 degrees C was performed. Cross-sections were cut at pre-determined intervals and imaged with Scanning Electron Microscopy (SEM). After 1000 thermal cycles, adhesive failures are observed between the sintered silver and the DBA surface. Cross-sections were cut and imaged via optical microscope and SEM. Thermal analyzer measurements are recorded on a 10-kV SiC power module utilizing the sintered DBA substrate stacks.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2020

GPU Lifetimes on Titan Supercomputer: Survival Analysis and Reliability

The Cray XK7 Titan was the top supercomputer system in the world for a long time and remained critically important throughout its nearly seven year life. It was an interesting machine from a reliability viewpoint as most of its power came from 18,688 GPUs whose operation was forced to execute three rework cycles, two on the GPU mechanical assembly and one on the GPU circuitboards. We write about the last rework cycle and a reliability analysis of over 100,000 years of GPU lifetimes during Titan’s 6-year-long productive period. Using time between failures analysis and statistical survival analysis techniques, we find that GPU reliability is dependent on heat dissipation to an extent that strongly correlates with detailed nuances of the cooling architecture and job scheduling. We describe the history, data collection, cleaning, and analysis and give recommendations for future supercomputing systems. We make the data and our analysis codes publicly available.

Ostrouchov, George↗