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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Atomic-level evidence for packing and positional amyloid polymorphism by segment from TDP-43 RRM2

Proteins in the fibrous amyloid state are a major hallmark of neurodegenerative disease. Understanding the multiple conformations, or polymorphs, of amyloid proteins at the molecular level is a challenge of amyloid research. Here, we detail the wide range of polymorphs formed by a segment of human TAR DNA-binding protein 43 (TDP-43) as a model for the polymorphic capabilities of pathological amyloid aggregation. Using X-ray diffraction, microelectron diffraction (MicroED) and single-particle cryo-EM, we show that the 247 DLIIKGISVHI 257 segment from the second RNA-recognition motif (RRM2) forms an array of amyloid polymorphs. These associations include seven distinct interfaces displaying five different symmetry classes of steric zippers. Additionally, we find that this segment can adopt three different backbone conformations that contribute to its polymorphic capabilities. In conclusion, the polymorphic nature of this segment illustrates at the molecular level how amyloid proteins can form diverse fibril structures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Exploring the Magnetoelectric Coupling at the Composite Interfaces of FE/FM/FE Heterostructures

Multiferroic materials have attracted considerable attention as possible candidates for a wide variety of future microelectronic and memory devices, although robust magnetoelectric (ME) coupling between electric and magnetic orders at room temperature still remains difficult to achieve. In order to obtain robust ME coupling at room temperature, we studied the Pb(Fe0.5Nb0.5)O3/Ni0.65Zn0.35Fe2O4/ Pb(Fe0.5Nb0.5)O3 (PFN/NZFO/PFN) trilayer structure as a representative FE/FM/FE system. We report the ferroelectric, magnetic and ME properties of PFN/NZFO/PFN trilayer nanoscale heterostructure having dimensions 70/20/70nm, at room temperature. The presence of only (00l) refection of PFN and NZFO in the X-ray diffraction (XRD) patterns and electron diffraction patterns in Transmission Electron Microscopy (TEM) confirm the epitaxial growth of multilayer heterostructure. The distribution of the ferroelectric loop area in a wide area has been studied, suggesting that spatial variability of ferroelectric switching behavior is low, and film growth is of high quality. The ferroelectric and magnetic phase transitions of these heterostructures have been found at ~575K and ~650K, respectively which are well above room temperature. These nanostructures exhibit low loss tangent, large saturation polarization (Ps ~ 38µC/cm2) and magnetization (Ms ~ 48emu/cm3) with strong ME coupling at room temperature revealing them as potential candidates for nanoscale multifunctional and spintronics device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An integrated approach to understanding RF vacuum arcs

Although used in the design and costing of large projects such as linear colliders and fusion tokamaks, the theory of vacuum arcs and gradient limits is not well understood. Almost 120 years after the isolation of vacuum arcs, the exact mechanisms of the arcs and the damage they produce are still being debated. We describe our simple and general model of the vacuum arc that can incorporate all active mechanisms and aims to explain all relevant data. Our four stage model, is based on experiments done at 805 MHz with a variety of cavity geometries, magnetic fields, and experimental techniques as well as data from Atom Probe Tomography and failure analysis of microelectronics. The model considers the trigger, plasma formation, plasma evolution and surface damage phases of the RF arc. This paper also examines how known mechanisms can explain the observed sharp field dependence, fast breakdown times and observed surface damage. We update the model and discuss new features while also pointing out where new data would be useful in extending the model to a wider range of frequencies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Integration of multiple coinflip devices for high-quality random sampling

Artificial intelligence, scientific computing, and probabilistic computing use random sampling to approximate solutions to various problems, with larger models requiring a substantial quantity of random numbers. To generate the required vast quantity of random numbers at high rates, we explore so-called “coinflip” devices, which are stochastic microelectronic devices ideally capable of independently generating random bits with a tunable weight at a high rate. However, coinflip devices are inherently analog and demonstrate nonidealities, like temperature dependence and drift, that can introduce determinism into the outputs. We present important considerations for building systems of multiple coinflip devices to produce high-quality bitstreams with low error and little dependency on previous bits. Using tunnel diodes as coinflip devices, we implement a control loop to adapt to temperature dependence and generate fair bitstreams with each device. While this can lead to dependencies between bits in a single bitstream, we demonstrate that combining results generated in parallel with individual tunnel diodes can produce fair and unpredictable bitstreams. The suitability of these bitstreams for use in probabilistic computing is then demonstrated through a Monte Carlo approximation of π.

Taylor, Brady Garland [Sandia National Laboratorie↗
DOE OSTI2025

Impact of CuInP 2 S 6 –metal interfaces on the stabilization of polar phases and polarization switching

The multifunctionality of two-dimensional ferroelectric CuInP 2 S 6 (CIPS) arises from the existence of multiple polar phases combined with a high ionic conductivity that facilitates polarization switching in unusual ways. The van der Waals (vdW) layered structure provides ultrathin flakes and ideal interfaces to integrate with other materials for microelectronics and neuromorphic elements. However, device integration necessitates metal contacts to read, write, or transmit signals. In this work, we find that different types of metal–CIPS interfaces strongly impact the stabilization of specific polar phases and the field-induced transitions between the polarization states. Cu electrodes initially suppress the piezoresponse, whereas, at CIPS–Ag interfaces, the electromechanical signal is increased. Under electric fields, the Cu electrodes, Ag electrodes and surrounding CIPS surfaces can show distinct switching behavior as different phases and polarization orientations are stabilized. These findings highlight that metal–CIPS interfaces provide the opportunity to optimize functional material properties.

Ferroelectrics and multiferroics↗
DOE OSTI2025

Strategies to search for two-dimensional materials with long spin qubit coherence time

Two-dimensional (2D) materials that can host qubits with long spin coherence time (T 2 ) have the distinct advantage of integrating easily with existing microelectronic and photonic platforms, making them attractive for designing novel quantum devices with enhanced performance. However, the relative lack of 2D materials as spin qubit hosts, as well as appropriate substrates that can help maintain long T 2 , necessitates a strategy to search for candidates with robust spin coherence. Here, we develop a high-throughput computational workflow to predict the nuclear spin bath-driven qubit decoherence and T 2 in 2D materials and heterostructures. We initially screen 1172 2D materials and find 189 monolayers with T 2 > 1 ms, higher than that of naturally-abundant diamond. We then construct 1554 lattice-commensurate heterostructures between high-T 2 2D materials and select 3D substrates, and we find that T 2 is generally lower in a heterostructure than in the bare 2D host material; however, low-noise substrates (such as CeO 2 and CaO) can help maintain high T 2 . To further accelerate the material screening effort, we derive analytical models that enable rapid predictions of T 2 for 2D materials and heterostructures. The models offer a simple, yet quantitative, way to determine the relative contributions to decoherence from the nuclear spin baths of the 2D host and substrate in a heterostructural system. By developing a high-throughput workflow and analytical models, we expand the genome of 2D materials and their spin coherence times for the development of spin qubit platforms.

Toriyama, Michael Y. [Argonne National Laboratory ↗
DOE OSTI2020

A native oxide high-κ gate dielectric for two-dimensional electronics

Silicon-based transistors are approaching their physical limits and thus new high-mobility semiconductors are sought to replace silicon in the microelectronics industry. Both bulk materials (such as silicon-germanium and III–V semiconductors) and low-dimensional nanomaterials (such as one-dimensional carbon nanotubes and two-dimensional transition metal dichalcogenides) have been explored, but, unlike silicon, which uses silicon dioxide (SiO 2 ) as its gate dielectric, these materials suffer from the absence of a high-quality native oxide as a dielectric counterpart. This can lead to compatibility problems in practical devices. Here, we show that an atomically thin gate dielectric of bismuth selenite (Bi 2 SeO 5 ) can be conformally formed via layer-by-layer oxidization of an underlying high-mobility two-dimensional semiconductor, Bi 2 O 2 Se. Using this native oxide dielectric, high-performance Bi 2 O 2 Se field-effect transistors can be created, as well as inverter circuits that exhibit a large voltage gain (as high as 150). The high dielectric constant (~21) of Bi 2 SeO 5 allows its equivalent oxide thickness to be reduced to 0.9 nm while maintaining a gate leakage lower than thermal SiO 2 . The Bi 2 SeO 5 can also be selectively etched away by a wet chemical method that leaves the mobility of the underlying Bi 2 O 2 Se semiconductor almost unchanged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Phonon diffraction and dimensionality crossover in phonon-interface scattering

Abstract Thermal resistance at interfaces and grain boundaries is important in a range of fields from microelectronics to energy materials. Standard models treat interfaces as structureless even though at the nanoscale they are often better described as arrays of linear defects. Here, we examine several characteristics of heat transport that arise when considering such a structure at the interface. When heat carrying phonons scatter off linear defect arrays, diffraction of phonons occurs. Furthermore, a dimensionality crossover is observed in diffusive transport. Phonons transition from seeing a structureless planar defect when their wavelength is longer than the defect spacing, $$\lambda \gtrsim D$$ λ ≳ D , to seeing the interface as a collection of independently scattering linear defects when $$\lambda \lesssim D$$ λ ≲ D . By applying this theory to grain boundary strain-field scattering, we show that this dimensionality crossover can explain the frequency dependence of grain boundary scattering and transmissivity, which results in the T 2 temperature dependence observed in the low- T thermal conductivity of poly/nanocrystalline materials.

Hanus, Riley↗
DOE OSTI2015

Lead-free epitaxial ferroelectric material integration on semiconducting (100) Nb-doped SrTiO3 for low-power non-volatile memory and efficient ultraviolet ray detection

We report lead-free ferroelectric based resistive switching non-volatile memory (NVM) devices with epitaxial (1-x)BaTiO3-xBiFeO3 (x = 0.725) (BT-BFO) film integrated on semiconducting (100) Nb (0.7%) doped SrTiO3 (Nb:STO) substrates. The piezoelectric force microscopy (PFM) measurement at room temperature demonstrated ferroelectricity in the BT-BFO thin film. PFM results also reveal the repeatable polarization inversion by poling, manifesting its potential for read-write operation in NVM devices. The electroforming-free and ferroelectric polarization coupled electrical behaviour demonstrated excellent resistive switching with high retention time, cyclic endurance and low set/reset voltages. X-ray photoelectron spectroscopy was utilized to determine the band alignment at the BT-BFO and Nb:STO heterojunction and it exhibited staggered band alignment. This heterojunction is found to behave as an efficient ultraviolet photo-detector with low rise and fall time. The architecture also demonstrates half-wave rectification under low and high input signal frequencies, where the output distortion is minimal. The results provide avenue for an electrical switch that can regulate the pixels in low or high frequency images. Combined this work paves the pathway towards designing future generation low-power ferroelectric based microelectronic devices by merging both electrical and photovoltaic properties of BT-BFO materials.

Science & Technology - Other Topics↗
DOE OSTI2016

Controlled Phase and Tunable Magnetism in Ordered Iron Oxide Nanotube Arrays Prepared by Atomic Layer Deposition

Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe 2 O 3 and superparamagnetic Fe 2 O 3 with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe 2 O 3 in a reducing atmosphere leads to the formation of the spinel Fe 3 O 4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulator transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. Finally, the ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Spontaneous and strong multi-layer graphene n-doping on soda-lime glass and its application in graphene-semiconductor junctions

Scalable and low-cost doping of graphene could improve technologies in a wide range of fields such as microelectronics, optoelectronics, and energy storage. While achieving strong p-doping is relatively straightforward, non-electrostatic approaches to n-dope graphene, such as chemical doping, have yielded electron densities of 9.5 × 10 12 e/cm 2 or below. Furthermore, chemical doping is susceptible to degradation and can adversely affect intrinsic graphene’s properties. Here we demonstrate strong (1.33 × 10 13 e/cm 2 ), robust, and spontaneous graphene n-doping on a soda-lime-glass substrate via surface-transfer doping from Na without any external chemical, high-temperature, or vacuum processes. Remarkably, the n-doping reaches 2.11 × 10 13 e/cm 2 when graphene is transferred onto a p-type copper indium gallium diselenide (CIGS) semiconductor that itself has been deposited onto soda-lime-glass, via surface-transfer doping from Na atoms that diffuse to the CIGS surface. Using this effect, we demonstrate an n-graphene/p-semiconductor Schottky junction with ideality factor of 1.21 and strong photo-response. As a result, the ability to achieve strong and persistent graphene n-doping on low-cost, industry-standard materials paves the way toward an entirely new class of graphene-based devices such as photodetectors, photovoltaics, sensors, batteries, and supercapacitors.

14 SOLAR ENERGY↗
DOE OSTI2016

Demonstration of single crystal growth via solid-solid transformation of a glass

Many advanced technologies have relied on the availability of single crystals of appropriate material such as silicon for microelectronics or superalloys for turbine blades. Similarly, many promising materials could unleash their full potential if they were available in a single crystal form. However, the current methods are unsuitable for growing single crystals of these oftentimes incongruently melting, unstable or metastable materials. Here we demonstrate a strategy to overcome this hurdle by avoiding the gaseous or liquid phase, and directly converting glass into a single crystal. Specifically, Sb 2 S 3 single crystals are grown in Sb-S-I glasses as an example of this approach. In this first unambiguous demonstration of an all-solid-state glass → crystal transformation, extraneous nucleation is avoided relative to crystal growth via spatially localized laser heating and inclusion of a suitable glass former in the composition. Lastly, the ability to fabricate patterned single-crystal architecture on a glass surface is demonstrated, providing a new class of micro-structured substrate for low cost epitaxial growth, active planar devices, etc.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Vacancy structures and melting behavior in rock-salt GeSbTe

Ge-Sb-Te alloys have been widely used in optical/electrical memory storage. Because of the extremely fast crystalline-amorphous transition, they are also expected to play a vital role in next generation nonvolatile microelectronic memory devices. However, the distribution and structural properties of vacancies have been one of the key issues in determining the speed of melting (or amorphization), phase-stability, and heat-dissipation of rock-salt GeSbTe, which is crucial for its technological breakthrough in memory devices. Using spherical aberration-aberration corrected scanning transmission electron microscopy and atomic scale energy-dispersive X-ray mapping, we observe a new rock-salt structure with high-degree vacancy ordering (or layered-like ordering) at an elevated temperature, which is a result of phase transition from the rock-salt phase with randomly distributed vacancies. First-principles calculations reveal that the phase transition is an energetically favored process. Furthermore, molecular dynamics studies suggest that the melting of the cubic rock-salt phases is initiated at the vacancies, which propagate to nearby regions. The observation of multi-rock-salt phases suggests another route for multi-level data storage using GeSbTe.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dislocation-pipe diffusion in nitride superlattices observed in direct atomic resolution

Device failure from diffusion short circuits in microelectronic components occurs via thermally induced migration of atoms along high-diffusivity paths: dislocations, grain boundaries, and free surfaces. Even well-annealed single-grain metallic films contain dislocation densities of about 10 14 m -2 ; hence dislocation-pipe diffusion (DPD) becomes a major contribution at working temperatures. While its theoretical concept was established already in the 1950s and its contribution is commonly measured using indirect tracer, spectroscopy, or electrical methods, no direct observation of DPD at the atomic level has been reported. We present atomically-resolved electron microscopy images of the onset and progression of diffusion along threading dislocations in sequentially annealed nitride metal/semiconductor superlattices, and show that this type of diffusion can be independent of concentration gradients in the system but governed by the reduction of strain fields in the lattice.

42 ENGINEERING↗
DOE OSTI2015

Two-dimensional boron–nitrogen–carbon monolayers with tunable direct band gaps

The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. In this work, we systematically studied 2D B x /2 N x /2 C 1– x (0 < x < 1) compounds in particular focus on the four stoichiometric B x /2 N x /2 C 1– x ( x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer B x /2 N x /2 C 1– x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of B x /2 N x /2 C 1– x phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p–n junction photovoltaic modules. The present results also show that the band gaps of B x /2 N x /2 C 1– x can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Zero-dimensional to three-dimensional nanojoining: current status and potential applications

We report that the continuing miniaturization of microelectronics is pushing advanced manufacturing into nanomanufacturing. Nanojoining is a bottom-up assembly technique that enables functional nanodevice fabrication with dissimilar nanoscopic building blocks and/or molecular components. Various conventional joining techniques have been modified and re-invented for joining nanomaterials. Our review surveys recent progress in nanojoining methods, as compared to conventional joining processes. Examples of nanojoining are given and classified by the dimensionality of the joining materials. At each classification, nanojoining is reviewed and discussed according to materials specialties, low dimensional processing features, energy input mechanisms and potential applications. The preparation of new intermetallic materials by reactive nanoscale multilayer foils based on self-propagating high-temperature synthesis is highlighted. This review will provide insight into nanojoining fundamentals and innovative applications in power electronics packaging, plasmonic devices, nanosoldering for printable electronics, 3D printing and space manufacturing.

36 MATERIALS SCIENCE↗