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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Hierarchical Statistical 3D ' Atomistic' Simulation of Decanano MOSFETs: Drift-Diffusion, Hydrodynamic and Quantum Mechanical Approaches

When MOSFETs are scaled to deep submicron dimensions the discreteness and randomness of the dopant charges in the channel region introduces significant fluctuations in the device characteristics. This effect, predicted 20 year ago, has been confirmed experimentally and in simulation studies. The impact of the fluctuations on the functionality, yield, and reliability of the corresponding systems shifts the paradigm of the numerical device simulation. It becomes insufficient to simulate only one device representing one macroscopical design in a continuous charge approximation. An ensemble of macroscopically identical but microscopically different devices has to be characterized by simulation of statistically significant samples. The aims of the numerical simulations shift from predicting the characteristics of a single device with continuous doping towards estimating the mean values and the standard deviations of basic design parameters such as threshold voltage, subthreshold slope, transconductance, drive current, etc. for the whole ensemble of 'atomistically' different devices in the system. It has to be pointed out that even the mean values obtained from 'atomistic' simulations are not identical to the values obtained from continuous doping simulations. In this paper we present a hierarchical approach to the 'atomistic' simulation of aggressively scaled decanano MOSFETs. A full scale 3D drift-diffusion'atomostic' simulation approach is first described and used for verification of the more economical, but also more restricted, options. To reduce the processor time and memory requirements at high drain voltage we have developed a self-consistent option based on a thin slab solution of the current continuity equation only in the channel region. This is coupled to the Poisson's equation solution in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison with the full self-consistent solution. At low drain voltage only single solution of the nonlinear Poisson equation is sufficient to extract the current with satisfactory accuracy. A pilot version of a hydrodynamic 'atomistic' simulator has been developed in order to study the effect of the nonequilibrium, non local transport in decanano MOSFETs on the random dopant induced current fluctuations. For the first time we have also applied the density gradient approach in 3D to investigate the effect of the quantum confinement on the threshold voltage fluctuations. The developed 'atomistic' simulation techniques have been applied to study various fluctuation resistant MOSFET architectures including epitaxial and delta doped devices.

Asenov, Asen↗
NASA NTRS2006

Thermoelectric device with multiple, nanometer scale, elements

A thermoelectric device formed of nanowires on the nm scale. The nanowires are preferably of a size that causes quantum confinement effects within the wires. The wires are connected together into a bundle to increase the power density.

Fleurial, Jean-Pierre↗
NASA NTRS2005

Nanowire Thermoelectric Devices

Nanowire thermoelectric devices, now under development, are intended to take miniaturization a step beyond the prior state of the art to exploit the potential advantages afforded by shrinking some device features to approximately molecular dimensions (of the order of 10 nm). The development of nanowire-based thermoelectric devices could lead to novel power-generating, cooling, and sensing devices that operate at relatively low currents and high voltages. Recent work on the theory of thermoelectric devices has led to the expectation that the performance of such a device could be enhanced if the diameter of the wires could be reduced to a point where quantum confinement effects increase charge-carrier mobility (thereby increasing the Seebeck coefficient) and reduce thermal conductivity. In addition, even in the absence of these effects, the large aspect ratios (length of the order of tens of microns diameter of the order of tens of nanometers) of nanowires would be conducive to the maintenance of large temperature differences at small heat fluxes. The predicted net effect of reducing diameters to the order of tens of nanometers would be to increase its efficiency by a factor of .3. Nanowires made of thermoelectric materials and devices that comprise arrays of such nanowires can be fabricated by electrochemical growth of the thermoelectric materials in templates that contain suitably dimensioned pores (10 to 100 nm in diameter and 1 to 100 microns long). The nanowires can then be contacted in bundles to form devices that look similar to conventional thermoelectric devices, except that a production version may contain nearly a billion elements (wires) per square centimeter, instead of fewer than a hundred as in a conventional bulk thermoelectric device or fewer than 100,000 as in a microdevice. It is not yet possible to form contacts with individual nanowires. Therefore, in fabricating a nanowire thermoelectric device, one forms contacts on nanowires in bundles of the order of 10-microns wide. The fill factor for the cross-section of a typical bundle is about 1/2. Nanowires have been grown in alumina templates with pore diameters of 100 and 40 nm.

Borshchevsky, Alexander↗
DOE OSTI2025

Vortex-Controlled Quasiparticle Multiplication and Self-Growth Dynamics in Superconducting Resonators

Even in the quantum limit, non-equilibrium quasiparticle (QP) populations induce QP poisoning that irreversibly relaxes the quantum state and significantly degrades the coherence of transmon qubits. A particularly detrimental yet previously unexplored mechanism arises from QP multiplication facilitated by vortex trapping in superconducting quantum circuits, where a high-energy QP relaxes by breaking additional Cooper pairs and amplifying the QP population due to the locally reduced excitation gap and enhanced quantum confinement within the vortex core. Here we directly resolve this elusive QP multiplication process by revealing vortex-controlled QP self-generation in a highly nonequilibrium regime preceding the phonon bottleneck of QP relaxation. At sufficiently low fluence, femtosecond-resolved magneto-reflection spectroscopy directly reveals a continuously increasing QP population that is strongly dependent on magnetic-field-tuned vortex density and absent at higher excitation fluences. Quantitative analysis of the emergent QP pre-bottleneck dynamics further reveals that, although the phonon population saturates within $\simeq$10~ps, both free and trapped QPs continue to grow in a self-sustained manner--hallmarks of the long-anticipated QP-vortex interactions in nonequilibrium superconductivity. We estimate a substantial increase of $\sim$34% in QP density at vortex densities of $\sim$ 100 magnetic flux quanta per $\mathrm{μm^{2}}$. Our findings establish a powerful spectroscopic tool for uncovering QP multiplication and reveal vortex-assisted QP relaxation as a critical materials bottleneck whose mitigation will be essential for resolving QP poisoning and enhancing coherence in superconducting qubits.

Park, Joong M. [Ames Lab]↗
DOE OSTI2024

Unraveling the Growth Mechanism of Strongly Confined CsPbBr 3 Perovskite Quantum Dots under Thermodynamic Equilibrium Control

Size-confined lead halide perovskite quantum dots (PQDs) are promising materials for optoelectronic devices. Large quantities of PQDs with high ensemble uniformity are often needed for device fabrication. The thermodynamic-equilibrium-controlled synthesis can produce PQDs with good size and shape uniformity. Unfortunately, scaling up this synthesis often produces unwanted perovskite nanoplatelets (NPLs). To date, the PQD and NPL growth mechanism under thermodynamic equilibrium control remains unexplored. We discovered that the growth of size-confined CsPbBr 3 PQDs is mediated by ultrasmall (~ 2.4 nm) metastable nanoclusters. These nanoclusters can eventually grow into PQDs when sufficient Cs-precursors are provided. Otherwise, the unreacted nanoclusters will self-assemble and fuse into NPLs during the synthesis and/or PQD purification. Furthermore, by controlling the homogeneous growth of nanoclusters, strongly confined (≤ 5 nm) PQDs with high size uniformity can be produced at the gram scale.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Entanglement and confinement in coupled quantum systems

We study some general properties of coupled quantum systems. We consider simple interactions between two copies of identical Hamiltonians such as the SYK model, Pauli spin chains with random magnetic field and harmonic oscillators. Such couplings make the ground states close to the thermofield double states of the uncoupled Hamiltonians. For the coupled SYK model, we push the numerical computation further towards the thermodynamic limit so that an extrapolation in the size of the system is possible. We find good agreement between the extrapolated numerical result and the analytic result in the large-q limit. We also consider the coupled gauged matrix model and vector model, and argue that the deconfinement is associated with the loss of the entanglement, similarly to the previous observation for the coupled SYK model. The understanding of the microscopic mechanism of the confinement/deconfinement transition enables us to estimate the quantum entanglement precisely, and backs up the dual gravity interpretation which relates the deconfinement to the disappearance of the wormhole. Our results demonstrate the importance of the entanglement between the color degrees of freedom in the emergence of the bulk geometry from quantum field theory via holography.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Mesoscale Confinement Effects and Emergent Quantum Interference in Titania Antidot Thin Films

The effect of confinement on electron and ion transport in oxide films is of interest both fundamentally and technologically for the design of next-generation electronic devices. In metal oxides with mobile ions and vacancies, it is the interplay of the different modes of charge transport and the corresponding current–voltage signatures that is of interest. We developed a patterned structure in titania films, with feature sizes of 11–20 nm, that allow us to explore confined transport. In this study, we describe how confinement changes the competing charge transport mechanisms, the patterned antidot array leads to displacement fields and confines the charge density that results in modified and emergent electron transport with an increase in conductivity. This emergent behavior can be described by considering electron interference effects. Characterization of the charge transport with electron holography and impedance spectroscopy, and through comparison with modeling, show that nanoscale confinement is a way to control quantum interference.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

High-power low-threshold graded-index separate confinement heterostructure AlGaAs single quantum well lasers on Si substrates

A high-power low-threshold graded-index separate confinement heterostructure AlGaAs single quantum well laser on Si substrates has been demonstrated for the first time by a hybrid growth of migration-enhanced molecular beam epitaxy followed by metalorganic vapor phase epitaxy. The quantum well laser showed an output power of more than 400 mW per facet under pulsed conditions. A room-temperature threshold current of 300 mA was obtained with a differential quantum efficiency of 40 percent without facet coating. The threshold current density was 550 A/sq cm for a cavity length of 500 microns. These results show the highest peak power reported to date for low-threshold lasers on Si substrates. The full width at half maximum of the far-field pattern parallel to the junction was 6 deg. Threshold current densities as low as 250 A/sq cm were obtained for lasers on GaAs substrates.

Kim, Jae-Hoon↗
DOE OSTI2020

Colloidal Quantum Dot Photovoltaics: Current Progress and Path to Gigawatt Scale Enabled by Smart Manufacturing

Colloidal quantum dots (QDs) have lately been pursued with intense vigor for optoelectronic applications such as photovoltaics (PV), flexible electronics, displays, mid-infrared photodetectors, lasers, and single-photon emitters. These nanometer-sized semiconducting crystals can be suitably mass-produced and size-tuned via cost-effective solution-based synthetic routes to operate in the quantum size confinement regime, endowing them with a wide array of exotic optical and electronic properties. While the first potential market entry could be in displays and in niche applications such as “internet-of-things”, ultimately, the technology has the potential to influence large-scale terrestrial power generation, because it is amenable to high-throughput synthesis from Earth-abundant materials and large-area solution-based coating techniques and can be air-stable. In this Review, we chronicle the recent advances that have propelled QD PV toward commercialization and highlight potential areas for further progress. We present an account of the material compositions being explored as QDs and their various benefits, major chemical passivation and doping strategies that have been developed to allay QD surface traps, and advanced device designs deployed to maximize charge extraction. We also discuss pathways to >20% efficient QD PV and describe recent advances in high-precision and autonomous synthesis of such materials. With recent demonstrations of scalable synthesis of high-quality QDs, smart manufacturing of QDs and QD solids, and fabrication of stable solar cells under ambient conditions, we suggest that the technology is on the road to achieving maturity and technological relevance and that gigawatt per year distributed panel production sites may be within reach.

14 SOLAR ENERGY↗
DOE OSTI2020

Nanoconfinement and Salt Synergistically Suppress Crystallization in Polyethylene Oxide

Suppressing the crystallization of polyether-based solid electrolytes is a widely sought-after strategy to improve ionic conductivity. We report the effects of nanoconfinement on polyethylene oxide electrolytes. We find that neat polyethylene oxide responds to nanoconfinement by adopting a preferred orientation, yet is able to crystallize even in nanoconfinement volumes with widths as small as 8 nm. However the combination of nanoconfinement and salt addition does suppress polymer crystallization at room temperature, even though either factor alone cannot. Such synergistic suppression of crystallization has implications for polymer electrolytes, since amorphous rather than crystalline domains predominantly contribute to ionic conduction. Our results suggest that salts previously discounted due to their inability to suppress crystallinity in bulk materials could be made viable when combined with nanoconfinement, thereby opening new possibilities for high-performance solid polymer electrolytes.

36 MATERIALS SCIENCE↗
NASA NTRS1991

AlGaAs-GaAs quantum-well lasers for direct solar photopumping

The paper theoretically examines the solar power requirements for low-threshold AlGaAs-GaAs quantum-well lasers directly photopumped by focused sunlight. A model of separate-confinement quantum-well-heterostructure (SCQWH) lasers was developed, which explicitly treats absorption and transport phenomena relevant to solar pumping. The model was used to identify separate-confinement single-quantum-well laser structures which should operate at photoexcitation intensities of less than 10,000 suns.

Unnikrishnan, Sreenath↗
DOE OSTI2024

Modeling and Simulation of Electrostatics of Ge$_{\text{1-x}}$Sn$_{\text{x}}$ Layers Grown on Ge Substrates

This work introduces a comprehensive simulation tool that provides a robust 1D Schrödinger – Poisson solver for modeling the electrostatics of heterostructures with an arbitrary number of layers, and non-uniform doping profiles along with the treatment of partial ionization of dopants at low temperatures. The effective masses are derived from the first-principles calculations. The solver is used to characterize three Ge 1-x Sn x /Ge heterostructures with non-uniform doping profiles and determine the subband structure at various temperatures. Here, the simulation results of the sheet carrier densities show excellent agreement with the experimentally extracted data, thus demonstrating the capabilities of the solver.

42 ENGINEERING↗
NASA NTRS1993

Interband optical transitions between confined and unconfined states in quantum wells

The interband optical absorption in single quantum wells (SQWs) due to transitions between confined states and unconfined continuum states (C-U transitions) were measured, calculated, and compared to absorption due to transitions involving pairs of confined states (C-C transiitons). An In(0.25)Ga(0.75)As/GaAs SQW with a 61-A well width was used in the experiment. A simple model describes how the slow-turnon absorption line shapes characterisic of SQWs evolve into sharp steplike features as more wells are added.

Ksendzov, A.↗
DOE OSTI2024

Density Functional Tight-Binding Models for Band Structures of Transition-Metal Alloys and Surfaces across the d -Block

First-principles electronic structure simulations are an invaluable tool for understanding chemical bonding and reactions. While machine-learning models such as interatomic potentials significantly accelerate the exploration of potential energy surfaces, electronic structure information is generally lost. Particularly in the field of heterogeneous catalysis, simulated electron band structures provide fundamental insights into catalytic reactivity. This ab initio knowledge is preserved in semiempirical methods such as density functional tight binding (DFTB), which extend the accessible computational length and time scales beyond first-principles approaches. In this paper here we present Shell-Optimized Atomic Confinement (SOAC) DFTB electronic-part-only parametrizations for bulk and surface band structures of all d-block transition metals that enable efficient predictions of electronic descriptors for large structures or high-throughput studies on complex systems outside the computational reach of density functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗