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DOE OSTI2025

Advancing microelectronics through nanoscale science: A perspective on needs and opportunities from the nanoscale science research centers

Microelectronics are the cornerstone of the modern world, enhancing our daily lives by providing services such as communications and datacenters. These resources are accessible thanks to the continual pursuit of a deeper understanding of the chemical and physical phenomena underlying the materials synthesis approaches and fabrication processes used to create microelectronic components and subsequently the components' responses to electrical, optical, and other stimuli that are utilized within microelectronic systems. Today, further development of microelectronics requires multidisciplinary expertise across scientific disciplines and fields of study—synthesis, materials characterization, nanoscale fabrication, and performance characterization—with focus placed on comprehending the nanoscale forms and features of microelectronic components. The Nanoscale Science Research Centers (NSRCs) are Department of Energy, Office of Science user facilities that support the international scientific community in advancing nanoscale science and technology. As a key component of the U.S. Government's National Nanotechnology Initiative, the NSRCs enable transformative discoveries by providing world-class facilities, expertise, and collaborative opportunities. Here, in this perspective, we showcase a non-exhaustive cross-section of the capabilities housed at and developed by the NSRCs and their user communities to address fundamental synthesis, metrology, fabrication, and performance considerations toward advancing the development of new microelectronics. Finally, we provide a timely outlook on the next major areas of necessary development in nanoscale sciences to continue the innovation of microelectronics into the next generation.

2D materials↗

DOE OSTI2018

Identification of mixed sources with an organic scintillator-based radiation portal monitor

We have developed radionuclide identification algorithms for radiation portal monitor applications. One algorithm uses a spectral angle mapper to match the power spectral density of modified cumulative distribution functions of measured pulse height distributions to reference spectra, while the others rely on the decomposition of the observed spectrum as a linear mixture of known radionuclide spectra. Three algorithms were then tested for their ability to perform on-the-fly radionuclide identification on datasets acquired with a liquid organic scintillator-based pedestrian radiation portal monitor on moving special nuclear material and industrial radiological sources, as well as common medical isotopes. We quantified and compared the relative efficacies of the algorithms considered using F-score analysis. Measured radiation sources included 51 g of highly enriched uranium, 6.6 g of weapons grade plutonium, 241 Am, 133 Ba, 57 Co and 137 Cs sources with activities of several hundred kBq, as well as 260 kBq liquid solution samples of the medical isotopes 99m Tc, 111 In, 67 Ga, 123 I, 131 I, and 201 Tl. We achieved 100% positive identification, for three-second measurements of single sources moving at a source-transit speed of 1.2 m/s. For mixed sources with strongest and weakest sources having no more than a 5:1 ratio of detected counts, encouraging positive identification results were achieved with the un-mixing algorithms. Current radiation portal monitor designs suffer from a high incidence rate of nuisance radiation alarms caused in radiation portal monitor primary screenings by recent nuclear medicine patients and cargo containing large amounts of naturally occurring radioactive materials. Integrating reliable on-the-fly radionuclide identification into the radiation portal monitors could lower the number of nuisance alarms requiring time-consuming secondary inspections.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Unfolding of the Villin Headpiece Domain: Revealing Structural Heterogeneity with Time‐Resolved X‐Ray Solution Scattering and Markov State Modeling

Understanding protein folding pathways is crucial to deciphering the principles of protein structure and function. Here, the unfolding dynamics of the 35‐residue villin headpiece (HP35) and a norleucine‐substituted variant (2F4K) using a combination of experimental and computational techniques is investigated. Time‐resolved X‐ray solution scattering coupled with equilibrium molecular dynamics simulations and Markov state modeling reveals distinct unfolding mechanisms between the two variants: HP35 and 2F4K. Specifically, HP35 exhibits a two‐state unfolding process, whereas an intermediate state is identified for the 2F4K mutant. A Markov state model constructed from simulations is used to map atomic‐level transitions to experimental observations, providing insights into the role of sequence variations in modulating folding pathways. The findings underscore the importance of integrating experimental and computational approaches to unravel protein unfolding mechanisms between heterogenous structural ensembles.

Nijhawan, Adam K. [Department of Chemistry Northwe↗

DOE OSTI2017

Nanoscale x-ray imaging of circuit features without wafer etching

Modern integrated circuits (ICs) employ a myriad of materials organized at nanoscale dimensions, and certain critical tolerances must be met for them to function. To understand departures from intended functionality, it is essential to examine ICs as manufactured so as to adjust design rules ideally in a nondestructive way so that imaged structures can be correlated with electrical performance. Electron microscopes can do this on thin regions or on exposed surfaces, but the required processing alters or even destroys functionality. Microscopy with multi-keV x-rays provides an alternative approach with greater penetration, but the spatial resolution of x-ray imaging lenses has not allowed one to see the required detail in the latest generation of ICs. X-ray ptychography provides a way to obtain images of ICs without lens-imposed resolution limits with past work delivering 20–40-nm resolution on thinned ICs. We describe a simple model for estimating the required exposure and use it to estimate the future potential for this technique. Here we show that this approach can be used to image circuit detail through an unprocessed 300-μm-thick silicon wafer with sub-20-nm detail clearly resolved after mechanical polishing to 240-μm thickness was used to eliminate image contrast caused by Si wafer surface scratches. Here, by using continuous x-ray scanning, massively parallel computation, and a new generation of synchrotron light sources, this should enable entire nonetched ICs to be imaged to 10-nm resolution or better while maintaining their ability to function in electrical tests.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Analytical Assessment for Transient Stability Under Stochastic Continuous Disturbances

Here, with the growing integration of renewable power generation, plug-in electric vehicles, and other sources of uncertainty, increasing stochastic continuous disturbances are brought to power systems. The impact of stochastic continuous disturbances on power system transient stability attracts significant attention. To address this problem, this paper proposes an analytical assessment method for transient stability of multi-machine power systems under stochastic continuous disturbances. In the proposed method, a probability measure of transient stability is presented and analytically solved by stochastic averaging. Compared with the conventional method (Monte Carlo simulation), the proposed method is many orders of magnitude faster, which makes it very attractive in practice when many plans for transient stability must be compared or when transient stability must be analyzed quickly. Also, it is found that the evolution of system energy over time is almost a simple diffusion process by the proposed method, which explains the impact mechanism of stochastic continuous disturbances on transient stability in theory.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Digital Grid Twin–Direct Communication Scheme Test Bed for Assessing Relay-to-Relay Radio Antenna and Optical Fiber Performance and Misoperations

This study introduces a novel “Digital Grid Twin–Direct Communication Scheme” test bed. This advanced platform evaluates point-to-point communication between transmitter and receiver relays with optical fiber and radio omnidirectional antenna systems, implemented at the Advanced Protection lab in the Grid Research Innovation and Development Center at Oak Ridge National Laboratory. The increased diversity of energy sources has led to more protective relay misoperations. In North America, microgrid protection schemes now use point-to-point communication along distribution lines between relays to implement advanced logic in nonradial grids that include both high- and low-inertia generators. This trend challenges utilities to minimize misoperations while ensuring rapid fault clearance and accurate selectivity coordination between primary and backup relays. This study assesses relay-to-relay communication schemes by introducing an advanced testing platform based on a digital grid twin protection test bed using a synchronized time source system. The platform evaluates the communication system using radio antennas or optical fiber links by integrating protective relays that operate breakers within the digital twin and record relay events and communication signals. In the experiments, transmitter and receiver relays were configured with inverse time overcurrent and breaker trip detection logic to assess the total time of the communication protection schemes based on the sum of the relay protection element operating time, radio latency, propagation delay, baud rate delay, and relay processing time. These delays were derived from recorded relay events and communication signals from the interface of a real-time simulator set as a digital grid twin. The test bed successfully simulated various electrical faults along a distribution line while ensuring effective and reliable point-to-point communication between transmitter and receiver relays. The radio antenna communication system exhibited latency because of the radio. This latency depends on the baud rate setting and type of radio application; in general, the higher the baud rate, the lower the radio latency. The measured radio latency (for Mirrored Bits with an encryption card at 9,600 bps) was about 9–10 ms. Additionally, calculated propagation delay per mile for radio antennas and optical fiber was 5.36 µs/mi and 8.04 µs/mi, respectively. Optical fiber communication did not demonstrate radio latency. Instead, the protection element operating time depends mainly on the protection logic function set in the relay, and the relay processing time depends on the processing rate of the relay in samples per power system cycle.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

High broadband photoconductivity of few-layered MoS 2 field-effect transistors measured using multi-terminal methods: effects of contact resistance

Among the layered two dimensional semiconductors, molybdenum disulfide (MoS 2 ) is considered to be an excellent candidate for applications in optoelectronics and integrated circuits due to its layer-dependent tunable bandgap in the visible region, high ON/OFF current ratio in field-effect transistors (FET) and strong light–matter interaction properties. In this study, using multi-terminal measurements, we report high broadband photocurrent response ( R ) and external quantum efficiency (EQE) of few-atomic layered MoS 2 phototransistors fabricated on a SiO 2 dielectric substrate and encapsulated with a thin transparent polymer film of Cytop. The photocurrent response was measured using a white light source as well as a monochromatic light of wavelength λ = 400 nm–900 nm. We measured responsivity using a 2-terminal configuration as high as R = 1 × 10 3 A W -1 under white light illumination with an optical power P opt = 0.02 nW. The R value increased to 3.5 × 10 3 A W -1 when measured using a 4-terminal configuration. Using monochromatic light on the same device, the measured values of R were 10 3 and 6 × 10 3 A W -1 under illumination of λ = 400 nm when measured using 2- and 4-terminal methods, respectively. The highest EQE values obtained using λ = 400 nm were 10 5 % and 10 6 % measured using 2- and 4-terminal configurations, respectively. The wavelength dependent responsivity decreased from 400 nm to the near-IR region at 900 nm. The observed photoresponse, photocurrent–dark current ratio (PDCR), detectivity as a function of applied gate voltage, optical power, contact resistances and wavelength were measured and are discussed in detail. The observed responsivity is also thoroughly studied as a function of contact resistance of the device.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Grid-Integrated Production of Fischer-Tropsch Synfuels from Nuclear Power

Idaho National Laboratory (INL) investigates the relative economic profitability of an integrated energy system (IES) coupling an NPP with a synfuel production process at selected case study locations across the United States. In the synfuel IES, a high-temperature steam electrolysis (HTSE) plant is thermally and electrically coupled with an NPP to produce zero-carbon hydrogen. The synthetic fuel is produced from this H 2 combined with a CO 2 supply using the reverse water gas shift process followed by the Fischer-Tropsch (FT) reaction. This analysis considers a system in which the CO 2 is sourced from regional CO 2 emitters via the construction and operation of pipeline-based CO 2 supply networks. Locating the FT plant at the same site as the NPP and HTSE plants enables the NPP to provide zero-carbon heat and power to the HTSE plant and zero-carbon power to the FT plant as well as avoid the requirement for long-distance H 2 product transport from the HTSE plant to the FT plant. Hydrogen storage is used to enable the NPP to dispatch power to the electrical grid (instead of the HTSE plant) when grid demand increases, thus enabling the FT plant to continue to operate in a steady-state production mode. The ability to cease hydrogen production for several hours within each day enables the NPP to provide power to the grid to balance the electricity market during peak periods and maximize revenues for the nuclear synfuel IES. The FT process design considered has a 99% carbon conversion efficiency. The use of nuclear energy and nuclear energy-derived hydrogen enables synfuel production to achieve this high level of carbon utilization. Additionally, the life-cycle carbon emissions of the nuclear-based synfuel production process are very low, with WTW emissions of approximately 25 gCO 2 e/MJ, including steam credits (generated from FT process excess heat), and approximately 7 gCO 2 e/MJ, if steam credits are excluded. This compares favorably with the WTW emissions of 90.5 gCO 2 e/MJ for a compression-ignition, direct injection (CIDI) vehicle with a fuel economy of 31.6 miles per gallon gasoline equivalent (MPGGE), using low-sulfur diesel produced using conventional petroleum production and refining processes. Several NPPs in various regions of the U.S. are considered as case study analyses. Supply locations and transportation via pipeline of the CO 2 feedstock to the NPP site are analyzed through the National Energy Technology Laboratory (NETL) CO 2 Transport Cost model. The team finds that the amount of CO 2 generated by different sectors is sufficient for the synfuel production process at all locations considered. The CO 2 transportation costs are functions of the distance of the source to the NPP location, the CO 2 capture cost at the source, and the quantity of CO 2 transported. Historical electricity prices for the NPP case study locations are collected and analyzed. Monthly average prices, price range, and duration of negative-price periods vary among these locations. For each location, an auto-regressive moving average (ARMA) model is trained on historical electricity price data. ARMA validation is done to ensure the synthetic price distributions represent one of historical prices with high fidelity. Synthetic time series from these ARMA models are used in a coupled dispatch and system optimization in the Holistic Energy Resource Optimization Network (HERON) to compute the differential net present value (NPV) of the IES. The team finds that this econometric is positive, ranging from $14M–1.3bn (2020) depending on the location. The optimal synfuel IES configuration to obtain this increase in NPV often maximizes the size of the synfuel production process with regards to the size of the NPP. However, the team shows that the NPP still plays a stabilizing role for the grid: In periods of high prices and high loads, more electricity from the NPP is sent to the grid. A high variability of electricity prices and extreme maximum prices tend to drive up electricity production. While it requires significant investment, the synfuel IES could increase the economic profitability for the existing fleet of LWRs across the country while still maintaining the grid stabilizer role of NPPs. During its lifetime, the main costs for the nuclear synfuel IES are the carbon feedstock transportation costs, followed by the capital expenses (CAPEX) and operation and maintenance (O&M) costs while the revenue comes first from the IRA H 2 production tax credit (PTC) and then from the sales of synfuel products. The profitability of the synfuel IES is most sensitive to the value of the hydrogen PTC and the synfuel products as well as the cost of the carbon feedstock, highlighting the importance of governmental incentives regarding hydrogen, carbon emissions, and synfuel in driving the deployment of future nuclear synfuel IESs.

08 HYDROGEN↗

DOE OSTI2024

Performance Improvements of the Griffin Solvers in FY24

The Griffin code is a MOOSE-based reactor physics application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, we have made significant efforts to improve the performance of transport solver options and cross-section generation for the efficient use of Griffin in advanced reactor applications. For the HFEM-PN solver, the residual evaluations of HFEM kernels were optimized by utilizing the pre- computed averaged cross sections for individual elements. Numerical integration involving the evaluation of basis functions at quadrature points was bypassed by facilitating precomputed element mass matrices for response matrices. Red-black iterations were improved by introducing a new generalized minimum residual based solver. The memory usage of response matrix storage was significantly reduced by applying basis function rotations on interfaces and calculating volumetric odd-parity moments on the fly. Additionally, the adjoint flux and transient calculation capabilities of the HFEM-PN solver were successfully implemented and verified using the TWIGL benchmark problem. For the DFEM-SN solver, memory footprint and computation time were significantly reduced by not treating angular flux vectors as the MOOSE nonlinear system vectors. Specifically for IQS, scalar adjoint weighting was introduced to further eliminate angular adjoint flux storage in the MOOSE auxiliary system. It was demonstrated through the three-dimensional Advanced Burner Test Reactor core problem that the memory usage for transient calculations with the IQS method was reduced by over 7.5× compared to before the optimizations. For the self-shielding application programming interface, a new double-heterogeneity treatment method, named the Bell Function-Based Analytic Two-Region Slowing Down Method, was developed to efficiently flux-volume homogenize TRISO particles with the matrix. Additionally, optimizations were made to hyper- fine group (HFG) slowing down calculations by pretabulating collision probability coefficients and grouping isotopes, significantly reducing the computational time for calculating scattering sources per HFG. Lastly, the pin power reconstruction module was extended to account for temporal behavior in a microreactor analysis problem, specifically for a control drum transient. Verification tests for each of these improvements demonstrated significant performance enhancements and memory reduction.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Maintaining Balance: The Increasing Role of Energy Storage for Renewable Integration

For nearly a century, global power systems have focused on three key functions: generating, transmitting, and distributing electricity as a real-time commodity. Physics requires that electricity generation always be in real-time balance with load-despite variability in load on time scales ranging from subsecond disturbances to multiyear trends. With the increasing role of variable generation from wind and solar, the retirement of fossil-fuel-based generation, and a changing consumer demand profile, grid operators are using new methods to maintain this balance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2016

Development of an E. coli strain for one-pot biofuel production from ionic liquid pretreated cellulose and switchgrass

Biological production of chemicals and fuels using microbial transformation of sustainable carbon sources, such as pretreated and saccharified plant biomass, is a multi-step process. Typically, each segment of the workflow is optimized separately, often generating conditions that may not be suitable for integration or consolidation with the upstream or downstream steps. While significant effort has gone into developing solutions to incompatibilities at discrete steps, very few studies report the consolidation of the multi-step workflow into a single pot reactor system. Here we demonstrate a one-pot biofuel production process that uses the ionic liquid 1-ethyl-3-methylimidazolium acetate (C 2 C 1 Im][OAc] ) for pretreatment of switchgrass biomass. [C 2 C 1 Im][OAc] is highly effective in deconstructing lignocellulose, but nonetheless leaves behind residual reagents that are toxic to standard saccharification enzymes and the microbial production host. We report the discovery of an [C 2 C 1 Im]-tolerant E. coli strain, where [C 2 C 1 Im] tolerance is bestowed by a P7Q mutation in the transcriptional regulator encoded by rcdA. We establish that the causal impact of this mutation is the derepression of a hitherto uncharacterized major facilitator family transporter, YbjJ. To develop the strain for a one-pot process we engineered this [C 2 C 1 Im]-tolerant strain to express a recently reported d-limonene production pathway. We also screened previously reported [C 2 C 1 Im]-tolerant cellulases to select one that would function with the range of E. coli cultivation conditions and expressed it in the [C 2 C 1 Im]-tolerant E. coli strain so as to secrete this [C 2 C 1 Im]-tolerant cellulase. The final strain digests pretreated biomass, and uses the liberated sugars to produce the bio-jet fuel candidate precursor d-limonene in a one-pot process.

09 BIOMASS FUELS↗

DOE OSTI2018

3D printing via ambient reactive extrusion

Here, Additive Manufacturing (AM) has the potential to offer many benefits over traditional manufacturing methods in the fabrication of complex parts with advantages such as low weight, complex geometry, and embedded functionality. In practice, today’s AM technologies are limited by their slow speed and highly directional properties. To address both issues, we have developed a reactive mixture deposition approach that can enable 3D printing of polymer materials at over 100X the volumetric deposition rate, enabled by a greater than 10X reduction in print head mass compared to existing large-scale thermoplastic deposition methods, with material chemistries that can be tuned for specific properties. Additionally, the reaction kinetics and transient rheological properties are specifically designed for the target deposition rates, enabling the synchronized development of increasing shear modulus and extensive cross linking across the printed layers. This ambient cure eliminates the internal stresses and bulk distortions that typically hamper AM of large parts, and yields a printed part with inter-layer covalent bonds that significantly improve the strength of the part along the build direction. The fast cure kinetics combined with the fine-tuned viscoelastic properties of the mixture enable rapid vertical builds that are not possible using other approaches. Through rheological characterization of mixtures that were capable of printing in this process as well as materials that have sufficient structural integrity for layer-on-layer printing, a “printability” rheological phase diagram has been developed, and is presented here. We envision this approach implemented as a deployable manufacturing system, where manufacturing is done on-site using the efficiently-shipped polymer, locally-sourced fillers, and a small, deployable print system. Unlike existing additive manufacturing approaches which require larger and slower print systems and complex thermal management strategies as scale increases, liquid reactive polymers decouple performance and print speed from the scale of the part, enabling a new class of cost-effective, fuel-efficient additive manufacturing.

36 MATERIALS SCIENCE↗

DOE OSTI2021

High-performance ammonia oxidation catalysts for anion-exchange membrane direct ammonia fuel cells

Low-temperature direct ammonia fuel cells (DAFCs) use carbon-neutral ammonia as a fuel, which has attracted increasing attention recently due to ammonia's low source-to-tank energy cost, easy transport and storage, and wide availability. However, current DAFC technologies are greatly limited by the kinetically sluggish ammonia oxidation reaction (AOR) at the anode. Herein, we report an AOR catalyst, in which ternary PtIrZn nanoparticles with an average size of 2.3 ± 0.2 nm were highly dispersed on a binary composite support comprising cerium oxide (CeO 2 ) and zeolitic imidazolate framework-8 (ZIF-8)-derived carbon (PtIrZn/CeO 2 -ZIF-8) through a sonochemical-assisted synthesis method. Additionally, the PtIrZn alloy, with the aid of abundant OH ad provided by CeO 2 and uniform particle dispersibility contributed by porous ZIF-8 carbon (surface area: ~600 m 2 g -1 ), has shown highly efficient catalytic activity for the AOR in alkaline media, superior to that of commercial PtIr/C. The rotating disk electrode (RDE) results indicate a lower onset potential (0.35 vs. 0.43 V), relative to the reversible hydrogen electrode at room temperature, and a decreased activation energy (~36.7 vs. 50.8 kJ mol -1 ) relative to the PtIr/C catalyst. Notably, the PtIrZn/CeO 2 -ZIF-8 catalyst was assembled with a high-performance hydroxide anion-exchange membrane to fabricate an alkaline DAFC, reaching a peak power density of 91 mW cm -2 . Unlike in aqueous electrolytes, supports play a critical role in improving uniform ionomer distribution and mass transport in the anode. PtIrZn nanoparticles on silicon dioxide (SiO 2 ) integrated with carboxyl-functionalized carbon nanotubes (CNT–COOH) were further studied as the anode in a DAFC. A significantly enhanced peak power density of 314 mW cm -2 was achieved. Density functional theory calculations elucidated that Zn atoms in the PtIr alloy can reduce the theoretical limiting potential of *NH 2 dehydrogenation to *NH by ~0.1 V, which can be attributed to a Zn-modulated upshift of the Pt–Ir d-band that facilitates the N–H bond breakage.

25 ENERGY STORAGE↗

DOE OSTI2025

Integral X-ray diffuse scattering for studying irradiation-induced dislocation loops in single crystals

Numerical diffuse scattering cross-section calculations are used to establish a rigorous basis for determining the concentration and size distribution of dislocation loops in irradiated single crystals from integral X-ray diffuse scattering (XRDS) measurements. Differential XRDS intensities for prismatic {111} type dislocation loops are numerically calculated as a function of loop radius R and wavevectors q relative to Bragg reflections in tungsten. The results show the well known 1/q 2 Huang scattering form at small q that transitions to a ∼1/q 4 dependence associated with the Stokes–Wilson approximation for q ≳ 1/R. More importantly, they show further that the 1/q 4 falloff is not the asymptotic large-q form of the diffuse scattering for small loops (R < 200 Å) as has often been assumed. Rather, for loop sizes as small as R ≃ 5 Å with strong curvature, the calculations show definitively that the scattering transitions to a robust 1/q 5 falloff at larger q that arises due to the local strains near the dislocation core defining the circumference of the dislocation loops. The presence of this 1/q 5 asymptotic form for both small and large loops is experimentally confirmed using an integral XRDS measurement around the 110 reflection on self-ion-irradiated tungsten combined with numerically calculated integral XRDS cross-sections. Accordingly, the historical two-region theoretical treatment of the cross-sections for integral XRDS is extended to a three-region model that has direct sensitivity to the (first-moment) dislocation line lengths of dislocation loops. In conclusion, these developments enable the use of both numerical and analytically modeled cross-sections to make accurate integral XRDS determinations of dislocation loop sizes and concentrations using modest-intensity laboratory X-ray sources.

42 ENGINEERING↗

DOE OSTI2025

Scalable fabrication of Chip-integrated 3D-nanostructured electronic devices via DNA-programmable assembly

DNA-based self-assembly methods have demonstrated powerful and unique capabilities to encode nanomaterial structures through the prescribed placement of inorganic and biological nanocomponents. However, the challenge of selectively growing DNA superlattices on specific locations of surfaces and their integration with conventional nanofabrication has hindered the fabrication of three-dimensional (3D) DNA-assembled functional devices. Here, we present a scalable nanofabrication technique that combines bottom-up and top-down approaches for selective growth of 3D DNA superlattices on gold microarrays. This approach allows for the fabrication of self-assembled 3D-nanostructured electronic devices. DNA strands are bound onto the gold arrays, which anchor DNA origami frames and promote ordered framework growth on the specific areas of the surface, enabling control of the lateral placement and orientation of superlattices. DNA frameworks selectively grown on the pads are subsequently templated to nanoscale silica and tin oxide (SnO x ) that follow the architecture, as confirmed by structural and chemical characterizations. The fabricated SnO x superlattices are integrated into devices that demonstrate photocurrent response.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Metallic Nanocomposites as Next-Generation Thermal Interface Materials

Thermal interface materials (TIMs) are an integral and important part of thermal management in electronic devices. The electronic devices are becoming more compact and powerful. This increase in power processed or passing through the devices leads to higher heat fluxes and makes it a challenge to maintain temperatures at the optimal level during operation. Herein, we report a free standing nanocomposite TIM in which boron nitride nanosheets (BNNS) are uniformly dispersed in copper matrices via an organic linker, thiosemicarbazide. Integration of these metal-organic-inorganic nanocomposites was made possible by a novel electrodeposition technique where the functionalized BNNS (f-BNNS) experience the Brownian motion and reach the cathode through diffusion, while the nucleation and growth of the copper on the cathode occurs via the electrochemical reduction. Once the f-BNNS bearing carbonothioyl/thiol groups on the terminal edges come into the contact with copper crystals, the chemisorption reaction takes place. We performed thermal, mechanical, and structural characterization of these nanocomposites using scanning electron microcopy (SEM), diffusive laser flash (DLF) analysis, phase-sensitive transient thermoreflectence (PSTTR), and nanoindentation. The nanocomposites exhibited a thermal conductivity ranging from 211 W/mK to 277 W/mK at a filler mass loading of 0-12 wt.percent. The nanocomposites also have about 4 times lower hardness as compared to copper, with values ranging from 0.27 GPa to 0.41 GPa. The structural characterization studies showed that most of the BNNS are localized at grain boundaries - which enable efficient thermal transport while making the material soft. PSTTR measurements revealed that the synergistic combinations of these properties yielded contact resistances on the order of 0.10 to 0.13 mm2K/W, and the total thermal resistance of 0.38 to 0.56 mm2K/W at bondline thicknesses of 30-50 um. The coefficient of thermal expansion (CTE) of the nanocomposite is 11 ppm/K, which lies between the CTEs of aluminum (22 ppm/K) and silicon (3 ppm/K), which are common heat sink and heat source materials, respectively. The nanocomposite can also be deposited directly on to heat sink which will simplify the packaging processes by removing one possible element to assemble. These unique properties and ease of assembly makes the nanocomposite a promising next-generation TIM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Metallic Nanocomposites as Next-Generation Thermal Interface Materials: Preprint

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Hybrid renewable energy systems: the value of storage as a function of PV-wind variability

As shares of variable renewable energy (VRE) on the electric grid increase, sources of grid flexibility will become increasingly important for maintaining the reliability and affordability of electricity supply. Lithium-ion battery energy storage has been identified as an important and cost-effective source of flexibility, both by itself and when coupled with VRE technologies like solar photovoltaics (PV) and wind. In this study, we explored the current and future value of utility-scale hybrid energy systems comprising PV, wind, and lithium-ion battery technologies (PV-wind-battery systems). Using a price-taker model with simulated hourly energy and capacity prices, we simulated the revenue-maximizing dispatch of a range of PV-wind-battery configurations across Texas, from the present through 2050. Holding PV capacity and point-of-interconnection capacity constant, we modeled configurations with varying wind-to-PV capacity ratios and battery-to-PV capacity ratios. We found that coupling PV, wind, and battery technologies allows for more effective utilization of interconnection capacity by increasing capacity factors to 60%–80%+ and capacity credits to close to 100%, depending on battery capacity. We also compared the energy and capacity values of PV-wind and PV-wind-battery systems to the corresponding stability coefficient metric, which describes the location-and configuration-specific complementarity of PV and wind resources. Our results show that the stability coefficient effectively predicts the configuration-location combinations in which a smaller battery component can provide comparable economic performance in a PV-wind-battery system (compared to a PV-battery system). These PV-wind-battery hybrids can help integrate more VRE by providing smoother, more predictable generation and greater flexibility.

14 SOLAR ENERGY↗