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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Deterministic and robust room-temperature exchange coupling in monodomain multiferroic BiFeO 3 heterostructures

Exploiting multiferroic BiFeO 3 thin films in spintronic devices requires deterministic and robust control of both internal magnetoelectric coupling in BiFeO 3 , as well as exchange coupling of its antiferromagnetic order to a ferromagnetic overlayer. Previous reports utilized approaches based on multi-step ferroelectric switching with multiple ferroelectric domains. Because domain walls can be responsible for fatigue, contain localized charges intrinsically or via defects, and present problems for device reproducibility and scaling, an alternative approach using a monodomain magnetoelectric state with single-step switching is desirable. Here we demonstrate room temperature, deterministic and robust, exchange coupling between monodomain BiFeO 3 films and Co overlayer that is intrinsic (i.e., not dependent on domain walls). Direct coupling between BiFeO 3 antiferromagnetic order and Co magnetization is observed, with ~90° in-plane Co moment rotation upon single-step switching that is reproducible for hundreds of cycles. Finally, this has important consequences for practical, low power non-volatile magnetoelectric devices utilizing BiFeO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2013

Stochastic and deterministic causes of streamer branching in liquid dielectrics

Streamer branching in liquid dielectrics is driven by stochastic and deterministic factors. The presence of stochastic causes of streamer branching such as inhomogeneities inherited from noisy initial states, impurities, or charge carrier density fluctuations is inevitable in any dielectric. A fully three-dimensional streamer model presented in this paper indicates that deterministic origins of branching are intrinsic attributes of streamers, which in some cases make the branching inevitable depending on shape and velocity of the volume charge at the streamer frontier. Specifically, any given inhomogeneous perturbation can result in streamer branching if the volume charge layer at the original streamer head is relatively thin and slow enough. Furthermore, discrete nature of electrons at the leading edge of an ionization front always guarantees the existence of a non-zero inhomogeneous perturbation ahead of the streamer head propagating even in perfectly homogeneous dielectric. Based on the modeling results for streamers propagating in a liquid dielectric, a gauge on the streamer head geometry is introduced that determines whether the branching occurs under particular inhomogeneous circumstances. Estimated number, diameter, and velocity of the born branches agree qualitatively with experimental images of the streamer branching.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Fast deterministic switching in orthogonal spin torque devices via the control of the relative spin polarizations

We model 100 ps pulse switching dynamics of orthogonal spin transfer (OST) devices that employ an out-of-plane polarizer and an in-plane polarizer. Simulation results indicate that increasing the spin polarization ratio, C{sub P} = P{sub IPP}/P{sub OPP}, results in deterministic switching of the free layer without over-rotation (360° rotation). By using spin torque asymmetry to realize an enhanced effective P{sub IPP}, we experimentally demonstrate this behavior in OST devices in parallel to anti-parallel switching. Modeling predicts that decreasing the effective demagnetization field can substantially reduce the minimum C{sub P} required to attain deterministic switching, while retaining low critical switching current, I{sub p} ∼ 500 μA.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

RDS - A systematic approach towards system thermal hydraulics input code development for a comprehensive deterministic safety analysis

Deterministic Safety Analysis (DSA) is one of the mandatory requirements conducted for Nuclear Power Plant licensing process, with the aim of ensuring safety compliance with relevant regulatory acceptance criteria. DSA is a technique whereby a set of conservative deterministic rules and requirements are applied for the design and operation of facilities or activities. Computer codes are normally used to assist in performing all required analysis under DSA. To ensure a comprehensive analysis, the conduct of DSA should follow a systematic approach. One of the methodologies proposed is the Standardized and Consolidated Reference Experimental (and Calculated) Database (SCRED) developed by University of Pisa. Based on this methodology, the use of Reference Data Set (RDS) as a pre-requisite reference document for developing input nodalization was proposed. This paper shall describe the application of RDS with the purpose of assessing its effectiveness. Two RDS documents were developed for an Integral Test Facility of LOBI-MOD2 and associated Test A1-83. Data and information from various reports and drawings were referred in preparing the RDS. The results showed that by developing RDS, it has made possible to consolidate all relevant information in one single document. This is beneficial as it enables preservation of information, promotes quality assurance, allows traceability, facilitates continuous improvement, promotes solving of contradictions and finally assisting in developing thermal hydraulic input regardless of whichever code selected. However, some disadvantages were also recognized such as the need for experience in making engineering judgments, language barrier in accessing foreign information and limitation of resources. Some possible improvements are suggested to overcome these challenges.

42 ENGINEERING↗
DOE OSTI2014

Deterministic coupling of delta-doped nitrogen vacancy centers to a nanobeam photonic crystal cavity

The negatively charged nitrogen vacancy center (NV) in diamond has generated significant interest as a platform for quantum information processing and sensing in the solid state. For most applications, high quality optical cavities are required to enhance the NV zero-phonon line (ZPL) emission. An outstanding challenge in maximizing the degree of NV-cavity coupling is the deterministic placement of NVs within the cavity. Here, we report photonic crystal nanobeam cavities coupled to NVs incorporated by a delta-doping technique that allows nanometer-scale vertical positioning of the emitters. We demonstrate cavities with Q up to ∼24 000 and mode volume V ∼ 0.47(λ/n){sup 3} as well as resonant enhancement of the ZPL of an NV ensemble with Purcell factor of ∼20. Our fabrication technique provides a first step towards deterministic NV-cavity coupling using spatial control of the emitters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Deterministic doping and the exploration of spin qubits

Deterministic doping by single ion implantation, the precise placement of individual dopant atoms into devices, is a path for the realization of quantum computer test structures where quantum bits (qubits) are based on electron and nuclear spins of donors or color centers. We present a donor - quantum dot type qubit architecture and discuss the use of medium and highly charged ions extracted from an Electron Beam Ion Trap/Source (EBIT/S) for deterministic doping. EBIT/S are attractive for the formation of qubit test structures due to the relatively low emittance of ion beams from an EBIT/S and due to the potential energy associated with the ions' charge state, which can aid single ion impact detection. Following ion implantation, dopant specific diffusion mechanisms during device processing affect the placement accuracy and coherence properties of donor spin qubits. For bismuth, range straggling is minimal but its relatively low solubility in silicon limits thermal budgets for the formation of qubit test structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Ion implantation for deterministic single atom devices

Here, we demonstrate a capability of deterministic doping at the single atom level using a combination of direct write focused ion beam and solid-state ion detectors. The focused ion beam system can position a single ion to within 35 nm of a targeted location and the detection system is sensitive to single low energy heavy ions. This platform can be used to deterministically fabricate single atom devices in materials where the nanostructure and ion detectors can be integrated, including donor-based qubits in Si and color centers in diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Single photon sources with near unity collection efficiencies by deterministic placement of quantum dots in nanoantennas

Deterministic coupling between photonic nodes in a quantum network is an essential step toward implementing various quantum technologies. The omnidirectionality of free-standing emitters, however, makes this coupling highly inefficient, in particular if the distant nodes are coupled via low numerical aperture (NA) channels such as optical fibers. This limitation requires placing quantum emitters in nanoantennas that can direct the photons into the channels with very high efficiency. Moreover, to be able to scale such technologies to a large number of channels, the placing of the emitters should be deterministic. In this work, we present a method for directly locating single free-standing quantum emitters with high spatial accuracy at the center of highly directional bullseye metal–dielectric nanoantennas. We further employ non-blinking, high quantum yield colloidal quantum dots for on-demand single-photon emission that is uncompromised by instabilities or non-radiative exciton recombination processes. Taken together, this approach results in a record-high collection efficiency of 85% of the single photons into a low NA of 0.5, setting the stage for efficient coupling between on-chip, room temperature nanoantenna-emitter devices and a fiber or a remote free-space node without the need for additional optics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mixed stochastic-deterministic density functional theoretic decomposition of Kubo–Greenwood conductivities in the projector augmented wave formalism

Pairing the accuracy of the Kohn–Sham density-functional framework with the efficiency of a stochastic algorithmic approach, mixed stochastic-deterministic density functional theory (mDFT) achieves a favorable computational scaling with system sizes and electronic temperatures. We employ the recently developed mDFT formalism to investigate the dynamic charge-transport properties of systems in the warm dense matter regime. The optical conductivity spectra are computed for single- and multi- component mixtures of carbon, hydrogen, and beryllium using two complementary approaches: Kubo–Greenwood in the mDFT picture and real-time time-dependent mDFT. We further devise a decomposition of the Onsager coefficients leading up to the Kubo–Greenwood spectra to exhibit contributions from the deterministic, stochastic, and mixed electronic state transitions at different incident photon energies.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Efficient analysis of stochastic gene dynamics in the non-adiabatic regime using piecewise deterministic Markov processes

Single-cell experiments show that gene expression is stochastic and bursty, a feature that can emerge from slow switching between promoter states with different activities. In addition to slow chromatin and/or DNA looping dynamics, one source of long-lived promoter states is the slow binding and unbinding kinetics of transcription factors to promoters, i.e. the non-adiabatic binding regime. Here, we introduce a simple analytical framework, known as a piecewise deterministic Markov process (PDMP), that accurately describes the stochastic dynamics of gene expression in the non-adiabatic regime. We illustrate the utility of the PDMP on a non-trivial dynamical system by analysing the properties of a titration-based oscillator in the non-adiabatic limit. We first show how to transform the underlying chemical master equation into a PDMP where the slow transitions between promoter states are stochastic, but whose rates depend upon the faster deterministic dynamics of the transcription factors regulated by these promoters. We show that the PDMP accurately describes the observed periods of stochastic cycles in activator and repressor-based titration oscillators. We then generalize our PDMP analysis to more complicated versions of titration-based oscillators to explain how multiple binding sites lengthen the period and improve coherence. Finally, we show how noise-induced oscillation previously observed in a titration-based oscillator arises from non-adiabatic and discrete binding events at the promoter site.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Nanoscale Quantum Imaging of Field-Free Deterministic Switching of a Chiral Antiferromagnet

Recently, unconventional spin-orbit torques (SOTs) with tunable spin generation have opened new pathways for designing novel magnetization control for cutting-edge spintronics innovations. A leading research thrust is to develop field-free deterministic magnetization switching for implementing scalable and energy favorable magnetic recording and storage, which have been demonstrated in conventional ferromagnetic and antiferromagnetic material systems. Here, in this work, we extend this advanced magnetization control strategy to chiral antiferromagnet Mn 3 ⁢Sn using spin currents with out-of-plane canted polarization generated from low-symmetry van der Waals (vdW) material WTe 2 . Numerical calculations suggest that dampinglike SOT of spins injected perpendicular to the kagome plane of Mn 3⁢ Sn serves as a driving force to rotate the chiral magnetic order, while the fieldlike SOT of spin currents with polarization parallel to the kagome plane provides the bipolar deterministicity to the magnetic switching in the absence of an external magnetic field. We further introduce scanning quantum microscopy to visualize nanoscale evolutions of Mn 3 ⁢Sn magnetic domains during the field-free switching process, corroborating the exceptionally large magnetic switching ratio up to 90%. Our results highlight the opportunities provided by hybrid SOT material platforms consisting of noncollinear antiferromagnets and low-symmetry vdW spin source materials for developing next-generation spintronic logic devices.

2-dimesional systems↗
DOE OSTI2010

Deterministic photon-photon {radical}(SWAP)gate using a {Lambda} system

We theoretically present a method to realize a deterministic photon-photon {radical}(SWAP) gate using a three-level {Lambda} system interacting with single photons in reflection geometry. The {Lambda} system is used completely passively as a temporary memory for a photonic qubit; the initial state of the {Lambda} system may be arbitrary, and active control by auxiliary fields is unnecessary throughout the gate operations. These distinct merits make this entangling gate suitable for deterministic and scalable quantum computation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

One-step deterministic polarization-entanglement purification using spatial entanglement

We present a one-step deterministic entanglement purification protocol with linear optics and postselection. Compared with the Simon-Pan protocol [C. Simon and J. W. Pan, Phys. Rev. Lett. 89, 257901 (2002)], this one-step protocol has some advantages. First, it can obtain a maximally entangled pair from each photon pair with only one step, instead of improving the fidelity of less-entangled photon pairs by performing the entanglement purification process repeatedly in other protocols. Second, it works in a deterministic way, not a probabilistic one, which greatly reduces the number of entanglement resources needed. Third, it does not require the polarization state be entangled; only spatial entanglement is needed. Moreover, it is feasible with current techniques [J. W. Pan, S. Gasparonl, R. Ursin, G. Weihs, and A. Zellinger, Nature (London) 423, 417 (2003)]. All these advantages make this one-step protocol more convenient than others in quantum-communication applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Deterministic single-atom excitation via adiabatic passage and Rydberg blockade

We propose to use adiabatic rapid passage with a chirped laser pulse in the strong dipole blockade regime to deterministically excite only one Rydberg atom from randomly loaded optical dipole traps or optical lattices. The chirped laser excitation is shown to be insensitive to the random number N of the atoms in the traps. Our method overcomes the problem of the {radical}(N) dependence of the collective Rabi frequency, which was the main obstacle for deterministic single-atom excitation in the ensembles with unknown N, and can be applied for single-atom loading of dipole traps and optical lattices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

SU-E-T-22: A Deterministic Solver of the Boltzmann-Fokker-Planck Equation for Dose Calculation

Purpose: The Boltzmann-Fokker-Planck equation (BFPE) accurately models the migration of photons/charged particles in tissues. While the Monte Carlo (MC) method is popular for solving BFPE in a statistical manner, we aim to develop a deterministic BFPE solver based on various state-of-art numerical acceleration techniques for rapid and accurate dose calculation. Methods: Our BFPE solver is based on the structured grid that is maximally parallelizable, with the discretization in energy, angle and space, and its cross section coefficients are derived or directly imported from the Geant4 database. The physical processes that are taken into account are Compton scattering, photoelectric effect, pair production for photons, and elastic scattering, ionization and bremsstrahlung for charged particles.While the spatial discretization is based on the diamond scheme, the angular discretization synergizes finite element method (FEM) and spherical harmonics (SH). Thus, SH is used to globally expand the scattering kernel and FFM is used to locally discretize the angular sphere. As a Result, this hybrid method (FEM-SH) is both accurate in dealing with forward-peaking scattering via FEM, and efficient for multi-energy-group computation via SH. In addition, FEM-SH enables the analytical integration in energy variable of delta scattering kernel for elastic scattering with reduced truncation error from the numerical integration based on the classic SH-based multi-energy-group method. Results: The accuracy of the proposed BFPE solver was benchmarked against Geant4 for photon dose calculation. In particular, FEM-SH had improved accuracy compared to FEM, while both were within 2% of the results obtained with Geant4. Conclusion: A deterministic solver of the Boltzmann-Fokker-Planck equation is developed for dose calculation, and benchmarked against Geant4. Xiang Hong and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-347: An Absolute Dose-Volume Constraint Based Deterministic Optimization Framework for Multi-Co60 Source Focused Radiotherapy

Purpose: Treatment plan optimization in multi-Co60 source focused radiotherapy with multiple isocenters is challenging, because dose distribution is normalized to maximum dose during optimization and evaluation. The objective functions are traditionally defined based on relative dosimetric distribution. This study presents an alternative absolute dose-volume constraint (ADC) based deterministic optimization framework (ADC-DOF). Methods: The initial isocenters are placed on the eroded target surface. Collimator size is chosen based on the area of 2D contour on corresponding axial slice. The isocenter spacing is determined by adjacent collimator sizes. The weights are optimized by minimizing the deviation from ADCs using the steepest descent technique. An iterative procedure is developed to reduce the number of isocenters, where the isocenter with lowest weight is removed without affecting plan quality. The ADC-DOF is compared with the genetic algorithm (GA) using the same arbitrary shaped target (254cc), with a 15mm margin ring structure representing normal tissues. Results: For ADC-DOF, the ADCs imposed on target and ring are (D100>10Gy, D50,10, 0<12Gy, 15Gy and 20Gy) and (D40<10Gy). The resulting D100, 50, 10, 0 and D40 are (9.9Gy, 12.0Gy, 14.1Gy and 16.2Gy) and (10.2Gy). The objectives of GA are to maximize 50% isodose target coverage (TC) while minimize the dose delivered to the ring structure, which results in 97% TC and 47.2% average dose in ring structure. For ADC-DOF (GA) techniques, 20 out of 38 (10 out of 12) initial isocenters are used in the final plan, and the computation time is 8.7s (412.2s) on an i5 computer. Conclusion: We have developed a new optimization technique using ADC and deterministic optimization. Compared with GA, ADC-DOF uses more isocenters but is faster and more robust, and achieves a better conformity. For future work, we will focus on developing a more effective mechanism for initial isocenter determination.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Integrated deterministic and probabilistic safety analysis for safety assessment of nuclear power plants

The present special issue contains an overview of the research in the field of Integrated Deterministic and Probabilistic Safety Assessment (IDPSA) of Nuclear Power Plants (NPPs). Traditionally, safety regulation for NPPs design and operation has been based on Deterministic Safety Assessment (DSA) methods to verify criteria that assure plant safety in a number of postulated Design Basis Accident (DBA) scenarios. Referring to such criteria, it is also possible to identify those plant Structures, Systems, and Components (SSCs) and activities that are most important for safety within those postulated scenarios. Then, the design, operation, and maintenance of these “safety-related” SSCs and activities are controlled through regulatory requirements and supported by Probabilistic Safety Assessment (PSA).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

APPROD: An App to Prod Values in Deterministic Models

The software takes any deterministic simulation code (non-specific) and modifies identified variables in the input-deck for the simulation code before launching a "run" of the code. This process is repeated N times and is useful for Probabilistic Risk Assessment studies as well as any other study requiring many parametric changes to variables in a deterministic code.

Grabaskas, Dave↗