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DOE OSTI2024

Biaxial Tensile Strain Enhances Electron Mobility of Monolayer Transition Metal Dichalcogenides

Strain engineering can modulate the material properties of two-dimensional (2D) sem- iconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron mobility of monolayer MoS 2 , a 2D semiconductor, but the effects of biaxial strain on charge transport are not well-understood in 2D semiconductors. Here, we use biaxial tensile strain on flexible substrates to probe the electron mobility in monolayer WS 2 and MoS 2 transistors. Further, this approach experimentally achieves ~2× higher on-state current and mobility with ~0.3% applied biaxial strain in WS 2 , the highest mobility improvement at the lowest strain reported to date. We also examine the mechanisms behind this improvement through density functional theory simulations, concluding that the enhancement is primarily due to reduced intervalley electron-phonon scattering. These results underscore the role of strain engineering 2D semiconductors for flexible electronics, sensors, integrated circuits, and other opto-electronic applications.

2D materials↗

DOE OSTI2021

Efficient verification of anticoncentrated quantum states

I present a method for estimating the fidelity F(μ, τ) between a preparable quantum state μ and a classically specified pure target state τ=|τ> <τ|, using simple quantum circuits and on-the-fly classical calculation (or lookup) of selected amplitudes of |τ>. The method is sample efficient for anticoncentrated states (including many states that are hard to simulate classically), with approximate cost 4ϵ –2 (1 – F)dpcoll where ϵ is the desired precision of the estimate, d is the dimension of the Hilbert space, and pcoll is the collision probability of the target distribution. Furthermore, this scaling is exponentially better than that of any method based on classical sampling. I also present a more sophisticated version of the method that uses any efficiently preparable and well-characterized quantum state as an importance sampler to further reduce the number of copies of μ needed. Though some challenges remain, this work takes a significant step toward scalable verification of complex states produced by quantum processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Scattering phase shift in quantum mechanics on quantum computers

Here, we investigate the feasibility of extracting infinite volume scattering phase shift on quantum computers in a simple one-dimensional quantum mechanical model, using the formalism established in the work by Guo and Gasparian [Phys. Rev. D 108, 074504 (2023)] that relates the integrated correlation functions for a trapped system to the infinite volume scattering phase shifts through a weighted integral. The system is first discretized in a finite box with periodic boundary conditions, and the formalism in real time is verified by employing a contact interaction potential with exact solutions. Quantum circuits are then designed and constructed to implement the formalism on current quantum computing architectures. To overcome the fast oscillatory behavior of the integrated correlation functions in real-time simulation, different methods of postdata analysis are proposed and discussed. Test results on IBM hardware show that good agreement can be achieved with two qubits, but complete failure ensues with three qubits due to two-qubit gate operation errors and thermal relaxation errors.

Guo, Peng [Dakota State Univ., Madison, SD (United↗

DOE OSTI2022

Statistical analysis on random quantum circuit sampling by Sycamore and Zuchongzhi quantum processors

Random quantum circuit sampling, a task to sample bit strings from a random quantum circuit, is considered a suitable benchmark task to demonstrate the outperformance of quantum computers even with noisy qubits. Recently, random quantum circuit sampling was performed on the Sycamore quantum processor with 53 qubits [Nature (London) 574, 505 (2019)] and on the Zuchongzhi quantum processor with 56 qubits [Phys. Rev. Lett. 127, 180501 (2021)]. Here, we analyze and compare the statistical properties of the outputs of the random quantum circuit sampling by the Sycamore and Zuchongzhi processors. Using the Marchenko-Pastur law of random matrices of bit strings and the Wasssertein distances between bit strings, we find that the statistical properties of Sycamore bit strings are quite different from those of Zuchongzhi bit strings, while both processors score similar values of linear cross-entropy fidelity for random circuit sampling. Some bit strings sampled by the Zuchongzhi processor pass the NIST random number tests while both Sycamore and Zuchongzhi processors show similar patterns in the heat maps of bit strings. Zuchongzhi bit strings are much closer to classical uniform random bits than those of Sycamore. It is shown that the statistical properties of bit strings of both random quantum circuits change little as the depth of the random quantum circuits increases. Our findings raise a question about the computational reliability of noisy quantum processors because two quantum processors with similar noise levels and similar qubit structures produced statistically different outputs for the same random quantum circuit sampling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Analysis of Back-Contact Interface Recombination in Thin-Film Solar Cells

The open-circuit voltage (VOC) in a generic TCO/buffer/absorber/back-contact thin-film solar cell device is a key parameter in the recombination analysis. In particular, VOC is sensitively influenced by the interface recombination at the buffer/absorber front interface and at the absorber/back-contact interface. This paper reports the temperature, excitation light intensity, and wavelength-dependent open-circuit voltage analysis to separate and quantify recombination rates in solar cells at the front and back interfaces, in the depletion regions, and in the quasi-neutral region. The wavelength-dependent VOC analysis is exploited to extract the absorber/back-contact recombination coefficient. The experimentally observed results are verified using SCAPS-1D (one dimensional-a solar cell capacitance simulator) simulation.

14 SOLAR ENERGY↗

NASA NTRS1992

A simple lightning parameterization for calculating global lightning distributions

A simple parameterization has been developed to simulate global lightning distributions. Convective cloud top height is used as the variable in the parameterization, with different formulations for continental and marine thunderstorms. The parameterization has been validated using two lightning data sets: one global and one regional. In both cases the simulated lightning distributions and frequencies are in very good agreement with the observed lightning data. This parameterization could be used for global studies of lightning climatology; the earth's electric circuit; in general circulation models for modeling global lightning activity, atmospheric NO(x) concentrations, and perhaps forest fire distributions for both the present and future climate; and, possibly, even as a short-term forecasting aid.

Price, Colin↗

NASA NTRS2001

Fundamentals of Digital Engineering: Designing for Reliability

The concept of designing for reliability will be introduced along with a brief overview of reliability, redundancy and traditional methods of fault tolerance is presented, as applied to current logic devices. The fundamentals of advanced circuit design and analysis techniques will be the primary focus. The introduction will cover the definitions of key device parameters and how analysis is used to prove circuit correctness. Basic design techniques such as synchronous vs asynchronous design, metastable state resolution time/arbiter design, and finite state machine structure/implementation will be reviewed. Advanced topics will be explored such as skew-tolerant circuit design, the use of triple-modular redundancy and circuit hazards, device transients and preventative circuit design, lock-up states in finite state machines generated by logic synthesizers, device transient characteristics, radiation mitigation techniques. worst-case analysis, the use of timing analyzer and simulators, and others. Case studies and lessons learned from spaceflight designs will be given as examples

Katz, R.↗

NASA NTRS1998

Neural learning rules for the vestibulo-ocular reflex

Mechanisms for the induction of motor learning in the vestibulo-ocular reflex (VOR) were evaluated by recording the patterns of neural activity elicited in the cerebellum by a range of stimuli that induce learning. Patterns of climbing-fiber, vestibular, and Purkinje cell simple-spike signals were examined during sinusoidal head movement paired with visual image movement at stimulus frequencies from 0.5 to 10 Hz. A comparison of simple-spike and vestibular signals contained the information required to guide learning only at low stimulus frequencies, and a comparison of climbing-fiber and simple-spike signals contained the information required to guide learning only at high stimulus frequencies. Learning could be guided by comparison of climbing-fiber and vestibular signals at all stimulus frequencies tested, but only if climbing fiber responses were compared with the vestibular signals present 100 msec earlier. Computational analysis demonstrated that this conclusion is valid even if there is a broad range of vestibular signals at the site of plasticity. Simulations also indicated that the comparison of vestibular and climbing-fiber signals across the 100 msec delay must be implemented by a subcellular "eligibility" trace rather than by neural circuits that delay the vestibular inputs to the site of plasticity. The results suggest two alternative accounts of learning in the VOR. Either there are multiple mechanisms of learning that use different combinations of neural signals to drive plasticity, or there is a single mechanism tuned to climbing-fiber activity that follows activity in vestibular pathways by approximately 100 msec.

NASA Discipline Neuroscience↗

NASA NTRS2004

Development of Electronic Load Controllers for Free-Piston Stirling Convertors Aided by Stirling Simulation Model

The free-piston Stirling convertor end-to-end modeling effort at the NASA Glenn Research Center has produced a software-based test bed in which free-piston Stirling convertors can be simulated and evaluated. The simulation model includes all the components of the convertor: the Stirling cycle engine, heat source, linear alternator, controller, and load. So far, it has been used in evaluating the performance of electronic controller designs. Three different controller design concepts were simulated using the model: 1) Controllers with parasitic direct current loading. 2) Controllers with parasitic alternating current loading. 3) Controllers that maintain a reference current. The free-piston Stirling convertor is an electromechanical device that operates at resonance. It is the function of the electronic load controller to ensure that the electrical load seen by the machine is always great enough to keep the amplitude of the piston and alternator oscillation at the rated value. This is done by regulating the load on the output bus. The controller monitors the instantaneous voltage, regulating it by switching loads called parasitic loads onto the bus whenever the bus voltage is too high and removing them whenever the voltage is too low. In the first type of controller, the monitor-ing and switching are done on the direct-current (dc) bus. In the second type, the alternating current bus is used. The model allows designers to test a controller concept before investing time in hardware. The simulation code used to develop the model also offers detailed models of digital and analog electronic components so that the resulting designs are realistic enough to translate directly into hardware circuits.

Regan, Timothy F.↗

NASA NTRS2008

Investigating Dielectric and Metamaterial Effects in a Terahertz Traveling-Wave Tube Amplifier

Adding material enhancements to a terahertz traveling-wave tube amplifier is investigated. Isotropic dielectrics, negative-index metamaterials, and anisotropic crystals are simulated, and plans to increase the efficiency of the device are discussed. Early results indicate that adding dielectric to the curved sections of the serpentine-shaped slow-wave circuit produce optimal changes in the cold-test characteristics of the device and a minimal drop in operating frequency. Additional results suggest that materials with simultaneously small relative permittivities and electrical conductivities are best suited for increasing the efficiency of the device. More research is required on the subject, and recommendations are given to determine the direction.

Starinshak, David P.↗

NASA NTRS2010

Atmospheric Turbulence Modeling for Aero Vehicles: Fractional Order Fits

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying coupling between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms and then by deriving an explicit fractional circuit-filter type analog for this model. This circuit model is utilized to develop a generalized formulation in frequency domain to approximate the fractional order with the products of first order transfer functions, which enables accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

Kopasakis, George↗

NASA NTRS2015

Atmospheric Turbulence Modeling for Aero Vehicles: Fractional Order Fits

Atmospheric Turbulence Modeling↗

DOE OSTI2017

Fault propagation and effects analysis for designing an online monitoring system for the secondary loop of a nuclear power plant part of a hybrid energy system - 393

This paper studies the propagation and effects of faults of critical components that pertain to the secondary loop of a nuclear power plant found in Nuclear Hybrid Energy Systems (NHES). This information is used to design an on-line monitoring (OLM) system which is capable of detecting and forecasting faults that are likely to occur during NHES operation. In this research, the causes, features, and effects of possible faults are investigated by simulating the propagation of faults in the secondary loop. The simulation is accomplished by using the Integrated System Failure Analysis (ISFA). ISFA is used for analyzing hardware and software faults during the conceptual design phase. In this paper, the models of system components required by ISFA are initially constructed. Then, the fault propagation analysis is implemented, which is conducted under the bounds set by acceptance criteria derived from the design of an OLM system. The result of the fault simulation is utilized to build a database for fault detection and diagnosis, provide preventive measures, and propose an optimization plan for the OLM system. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Scalable qubit representations of neutrino mixing matrices

Oscillating neutrino beams exhibit quantum coherence over distances of thousands of kilometers. Their unambiguously quantum nature suggests an appealing test system for direct quantum simulation. Such techniques may enable presently analytically intractable calculations involving multi-neutrino entanglements, such as collective neutrino oscillations in supernovae, but only once oscillation phenomenology is properly re-expressed in the language of quantum circuits. Here we resolve outstanding conceptual issues regarding encoding of arbitrarily mixed neutrino flavor states in the Hilbert space of an n-qubit quantum computer. We introduce algorithms to encode mixing and oscillation of any number of flavor-mixed neutrinos, both with and without CP-violation, with an efficient number of prescriptive input parameters in terms of sub-rotations of the PMNS matrix in standard form. As a result, examples encoded for an IBM-Q quantum computer are shown to converge to analytic predictions both with and without CP-violation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2014

Facile method for synthesis of TiO{sub 2} film and its application in high efficiency dye sensitized-solar cell (DSSC)

Dye-sensitized solar cells (DSSC) is a device which converts a solar energy to electrical energy. Different with semiconductor thin film based solar cell, DSSC utilize the sensitized-dye to absorb the photon and semiconductor such as titanium dioxide (TiO{sub 2}) and zinc oxide (ZnO) as a working electrode photoanode. In this report, the preparation of TiO{sub 2} film using a facile method of spray deposition and its application in DSSC have been presented. TiO{sub 2} photoanode was synthesized by growing the droplet of titanium tetraisopropoxide diluted in acid solution on the substrate of conductive glass flourine-doped tin oxide (FTO) with variation of precursor volume. DSSC was assemblied by sandwiching both of photoanode electrode and platinum counter electrode subsequently filling the area between these electrodes with triodine/iodine electrolite solution as redox pairs. The characterization of the as prepared DSSC using solar simulator (AM 1.5G, 100 mW/cm{sup 2}) and I-V source meter Keithley 2400 showed that the performance of DSSC was affected by the precursor volume.. The overall conversion efficiency of DSSC using the optimum TiO{sub 2} film was about 1.97% with the open circuit voltage (V{sub oc}) of 0.73 V, short circuit current density (J{sub sc}) of 4.61 mA and fill factor (FF) of 0.58.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2000

Digital Channel Simulator Developed and Tested

The Digital Channel Simulator (DCS) is a real-time test set developed in-house by the NASA Glenn Research Center at Lewis Field that simulates the characteristics of the modulator, demodulator, and transmission medium in a typical communications system to enable controlled laboratory testing of codec pairs. The DCS can support data rates up to 100 megasymbols per second (Msymbols/sec) with symbol sizes up to 10 bits and is compatible with both TTL (transistor transistor logic) and ECL (emitter coupled logic) interfaces. Because of its use of digital integrated circuits (IC's), the DCS offers the user accurate and repeatable testing while maintaining a simple reconfiguration of the modulation scheme and noise characteristics. The PC-based graphical user interface (GUI) assures user friendly operation for configuring, controlling, and monitoring the DCS and system during tests. In a typical communications system, the modulator places a symbol in constellation space and puts it on a carrier to be sent to the demodulator. Because of noise on the channel, the I and Q position in constellation space cannot be recovered exactly, and the received coordinates shift. To mimic this process in the laboratory, the DCS uses a mapper to place the symbol in constellation space. It simulates the shift in coordinates by digitally adding "noise" to the I and Q values. The mapper and noise source are implemented in lookup tables. Modulation schemes and noise characteristics are set by the values loaded in these tables. The mapper also has a pass-through mode to facilitate modulator testing, allowing noise to be added to 8-bit I and Q values of modulated data without a second mapping. To achieve high symbol rates, eight processing circuits are placed in parallel between an ECL demultiplexer and multiplexer. A graphical user interface was developed to calculate, load, and verify the values for the lookup tables. This interface can also be used to debug and verify proper operation of the channel simulator or to control an experiment. Operation of the DCS has been verified through three tests: a low-speed comprehensive system test, a high-speed (20 Msymbols/sec) test of the TTL interface, and a high-speed (100 Msymbols/sec) test of the ECL interface. The DCS is now ready for use by NASA and external customers.

Bizon, Thomas P.↗

DOE OSTI2023

Hydrogen-induced degradation dynamics in silicon heterojunction solar cells via machine learning

Abstract Among silicon-based solar cells, heterojunction cells hold the world efficiency record. However, their market acceptance is hindered by an initial 0.5% per year degradation of their open circuit voltage which doubles the overall cell degradation rate. Here, we study the performance degradation of crystalline-Si/amorphous-Si:H heterojunction stacks. First, we experimentally measure the interface defect density over a year, the primary driver of the degradation. Second, we develop SolDeg, a multiscale, hierarchical simulator to analyze this degradation by combining Machine Learning, Molecular Dynamics, Density Functional Theory, and Nudged Elastic Band methods with analytical modeling. We discover that the chemical potential for mobile hydrogen develops a gradient, forcing the hydrogen to drift from the interface, leaving behind recombination-active defects. We find quantitative correspondence between the calculated and experimentally determined defect generation dynamics. Finally, we propose a reversed Si-density gradient architecture for the amorphous-Si:H layer that promises to reduce the initial open circuit voltage degradation from 0.5% per year to 0.1% per year.

14 SOLAR ENERGY↗

DOE OSTI2020

The organic redox transistor for neuromorphic computing

Inspired by the in-memory computing architectures of biological systems, neuromorphic computing using crossbar arrays of artificial synapses based on non-volatile memory (NVM) devices with variable conductances has emerged as a new paradigm to enable massively parallel and ultra-low power computing hardware for data centric applications. Although inference has been demonstrated successfully using crossbars based on a variety of NMV technologies, efficient learning and scaling to large arrays (>10 6 elements) remains a challenge due to the synaptic elements' non-ideal electrical characteristics which degrades ANN accuracy. A further challenge is that in the conductive state memristors draw large currents >μA resulting in significant voltage drops in the interconnect wires and increased probability of failure in scaled arrays. We suggest the organic polymer redox transistor (RT) is an alternate approach that could solve many of these challenges, enabling both inference and parallel outer product updates, as recently demonstrated by Fuller et al. An RT consists of redox-active channel and gate electrodes in contact with a liquid or solid electrolyte. lon insertion through the electrolyte controls the channel electronic conductivity, while electron transfer through an external circuit maintains overall charge neutrality. Unlike a rechargeable battery, in the RT the voltage built-up across the electrolyte is kept to a minimum (typically <100 mV) by using the same material for the gate and channel. Elimination of the voltage offset simplifies integration of the RT into programmable arrays by enabling the use of various selectors. RTs based on inorganic and organic materials have been recently demonstrated with conductance tuning occurring at potentials of just a few mV and hundreds to thousands of linearly and symmetrically programmable conductance states, enabling near ideal accuracy in neural network simulations. Introduced in the 1980's, redox transistors with metallic gate electrodes and organic channel materials, also known as organic electrochemical transistors (OECTs), have been explored for a variety of applications such as chem- and bio-sensing, neural interfaces, and low cost printed circuits. A typical channel material for OECTs is the conducting polymer poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonate) (PEDOT:PSS). PEDOT is a p-type semiconducting polymer with mobile positively charged polarons that hop chain-to-chain.

Talin, Albert Alec↗