Results for “quantum modeling” — Page 20

NASA NTRS1999

Fast Quantum Algorithm for Predicting Descriptive Statistics of Stochastic Processes

Stochastic processes are used as a modeling tool in several sub-fields of physics, biology, and finance. Analytic understanding of the long term behavior of such processes is only tractable for very simple types of stochastic processes such as Markovian processes. However, in real world applications more complex stochastic processes often arise. In physics, the complicating factor might be nonlinearities; in biology it might be memory effects; and in finance is might be the non-random intentional behavior of participants in a market. In the absence of analytic insight, one is forced to understand these more complex stochastic processes via numerical simulation techniques. In this paper we present a quantum algorithm for performing such simulations. In particular, we show how a quantum algorithm can predict arbitrary descriptive statistics (moments) of N-step stochastic processes in just O(square root of N) time. That is, the quantum complexity is the square root of the classical complexity for performing such simulations. This is a significant speedup in comparison to the current state of the art.

Williams Colin P.↗

NASA NTRS2010

NASA Tech Briefs, September 2010

Topics covered include: Instrument for Measuring Thermal Conductivity of Materials at Low Temperatures; Multi-Axis Accelerometer Calibration System; Pupil Alignment Measuring Technique and Alignment Reference for Instruments or Optical Systems; Autonomous System for Monitoring the Integrity of Composite Fan Housings; A Safe, Self-Calibrating, Wireless System for Measuring Volume of Any Fuel at Non-Horizontal Orientation; Adaptation of the Camera Link Interface for Flight-Instrument Applications; High-Performance CCSDS Encapsulation Service Implementation in FPGA; High-Performance CCSDS AOS Protocol Implementation in FPGA; Advanced Flip Chips in Extreme Temperature Environments; Diffuse-Illumination Systems for Growing Plants; Microwave Plasma Hydrogen Recovery System; Producing Hydrogen by Plasma Pyrolysis of Methane; Self-Deployable Membrane Structures; Reactivation of a Tin-Oxide-Containing Catalys; Functionalization of Single-Wall Carbon Nanotubes by Photo-Oxidation; Miniature Piezoelectric Macro-Mass Balance; Acoustic Liner for Turbomachinery Applications; Metering Gas Strut for Separating Rocket Stages; Large-Flow-Area Flow-Selective Liquid/Gas Separator; Counterflowing Jet Subsystem Design; Water Tank with Capillary Air/Liquid Separation; True Shear Parallel Plate Viscometer; Focusing Diffraction Grating Element with Aberration Control; Universal Millimeter-Wave Radar Front End; Mode Selection for a Single-Frequency Fiber Laser; Qualification and Selection of Flight Diode Lasers for Space Applications; Plenoptic Imager for Automated Surface Navigation; Maglev Facility for Simulating Variable Gravity; Hybrid AlGaN-SiC Avalanche Photodiode for Deep-UV Photon Detection; High-Speed Operation of Interband Cascade Lasers; 3D GeoWall Analysis System for Shuttle External Tank Foreign Object Debris Events; Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates; Hidden Statistics Approach to Quantum Simulations; Reconstituted Three-Dimensional Interactive Imaging; Determining Atmospheric-Density Profile of Titan; Digital Microfluidics Sample Analyzer; Radiation Protection Using Carbon Nanotube Derivatives; Process to Selectively Distinguish Viable from Non-Viable Bacterial Cells; and TEAMS Model Analyzer.

Source record↗

NASA NTRS1993

Momentum loss in proton-nucleus and nucleus-nucleus collisions

An optical model description, based on multiple scattering theory, of longitudinal momentum loss in proton-nucleus and nucleus-nucleus collisions is presented. The crucial role of the imaginary component of the nucleon-nucleon transition matrix in accounting for longitudinal momentum transfer is demonstrated. Results obtained with this model are compared with Intranuclear Cascade (INC) calculations, as well as with predictions from Vlasov-Uehling-Uhlenbeck (VUU) and quantum molecular dynamics (QMD) simulations. Comparisons are also made with experimental data where available. These indicate that the present model is adequate to account for longitudinal momentum transfer in both proton-nucleus and nucleus-nucleus collisions over a wide range of energies.

Khan, Ferdous↗

NASA NTRS1978

Measurement of tropospheric 300 nm solar ultraviolet flux for determination of O/1D/ photoproduction rate

The tropospheric importance of the OH radical, and the reaction scheme that leads to its formation, are now being widely investigated. Ozone photolysis at wavelengths no greater than 318 nm produces O(1D), a small fraction of which then reacts with water vapor to yield OH. Although experimental data are available for the O(1D) quantum yield, as well as the O3 absorption cross section, all previous tropospheric photochemical models have had to use theoretical calculations to determine the UV flux. Discussed in this paper are aircraft spectral measurements of the solar UV flux at two altitudes - 2 and 6 km. These results have been compared with three theoretical approaches. The measured experimental fluxes have been combined here with recent quantum yield data to calculate the O(1D) photoproduction rate for various albedo values. This rate is larger than that used in models by about a factor of 2 for reasonable values of assumed albedo.

Sellers, B.↗

NASA NTRS1977

Quantum chemical calculations of interatomic potentials for computer simulation of solids

A comprehensive mathematical model by which the collective behavior of a very large number of atoms within a metal or alloy can accurately be simulated was developed. Work was done in order to predict and modify the strength of materials to suit our technological needs. The method developed is useful in studying atomic interactions related to dislocation motion and crack extension.

Source record↗

NASA NTRSDate not supplied

REACTER 2.0: Quantum-Informed Reaction Constraints and Automated Interaction Typing

REACTER is a heuristic method for modeling chemical reactions in classical molecular dynamics simulations, implemented in LAMMPS as fix bond/react. The authors recently extended LAMMPS to support alphanumeric labels for atom types, bond types etc., which enables the pre- and post-reaction templates required by the REACTER protocol to be portable between different simulations and greatly simplifies the task of creating simulation-ready reaction templates. To further increase the generality of reaction templates, support for wildcard characters within atom types has been added, along with the automatic assignment of interaction types for new bonds, angles, etc. based on the involved atom types. In some cases, this feature can express a class of reactions with one pair of reaction templates, where previously dozens may have been required. Advanced reaction constraints have also been added, including an Arrhenius constraint to enforce an effective activation energy, a root-mean-square-deviation option for complex geometrical constraints, as well as a custom constraint that leverages LAMMPS’ powerful built-in variable framework. Other new features include variable support for various inputs (e.g., to allow reaction rates or cutoffs to be dependent on overall conversion), on-the-fly update of molecule IDs, and the ability to create new atoms positioned with respect to the reaction site. The new features are applied to modeling polymeric, thermosetting and composite materials, and advanced applications of the new reaction constraints are demonstrated. For example, REACTER is shown to accurately reproduce mechanically-induced bond breaking, as characterized by third-order DFT-based tight-binding (DFTB3) simulations, via a constraint on the total potential energy of the involved atoms.

polymer simulations↗

NASA NTRSDate not supplied

Dual Fiber Spectrometer for Highly Non-Degenerate Entanglement Source

NASA is developing quantum metrology capabilities for potential space-based quantum components in future navigation and communications systems. Innate knowledge of component operation is key for the space qualification of these components. This paper focuses on the measurement and analysis of an important characteristic of an entanglement source, the joint spectrum. We describe a spectrometer based on dispersive optical fibers and present experimental measurements of the joint spectrum of a highly non-degenerate SPDC-based entanglement source that emits entangled photons in the near-infrared and telecommunications bands. How the analysis of such a joint spectrum could be applied to the modeling and simulation of entanglement swapping operations as possible extensions of quantum networks is examined. Lastly, we discuss how the separability of the two-photon state is quantified via Schmidt decomposition and how the degree of separability impacts the spectral purity of heralded single-photon emissions.

SPDC↗

NASA NTRSDate not supplied

Sensitivity of Simulated Radiative Emission from Nitrogen Flows to Chemical Parameters

Numerical models of hypersonic flows rely on chemistry data inferred from experiments and quantum calculations. Experiments from NASA's Electric Arc Shock Tube (EAST) measure the spectral emission of strong shocks in pure nitrogen flows. These spectral profiles are only approximately captured by numerical simulations. To address these discrepancies, one wishes to calibrate some of the chemical parameters to better match experiment. Because there are hundreds of parameters in the numerical model, a sensitivity analysis was carried out on the entire chemistry database to determine which parameters are most important to analyze in the future. In order to perform this work it was necessary to generate a consistent chemical database that interfaced with both the CFD and line-by-line radiation solver. Using Monte Carlo methods, the total Sobol index was calculated for important parameters. Twenty parameters were identified as important across the nitrogen system. However, it was noted that in some spectral regions, the parametric uncertainty was unable to bound EAST measurements. Further improvements could be made by increasing the parameter uncertainties or addressing other sources of modeling error.

Kaelan B Hansson↗

NASA NTRSDate not supplied

Sensitivity of Simulated Radiative Emission from Nitrogen Flows to Chemical Parameters

Numerical models of hypersonic flows rely on chemistry data inferred from experiments and quantum calculations. Experiments from NASA's Electric Arc Shock Tube (EAST) measure the spectral emission of strong shocks in pure nitrogen flows. These spectral profiles are only approximately captured by numerical simulations. To address these discrepancies, one wishes to calibrate some of the chemical parameters to better match experiment. Because there are hundreds of parameters in the numerical model, a sensitivity analysis was carried out on the entire chemistry database to determine which parameters are most important to analyze in the future. In order to perform this work it was necessary to generate a consistent chemical database that interfaced with both the CFD and line-by-line radiation solver. Using Monte Carlo methods, the total Sobol index was calculated for important parameters. Twenty parameters were identified as important across the nitrogen system. However, it was noted that in some spectral regions, the parametric uncertainty was unable to bound EAST measurements. Further improvements could be made by increasing the parameter uncertainties or addressing other sources of modeling error.

Kaelan Hansson↗

NASA NTRSDate not supplied

Accelerating the Deployment of Space-Based Quantum Sensors

The Space Science and Technology Partnership Forum (S&T Forum), comprised of an interagency team from the National Aeronautics and Space Administration, the National Reconnaissance Office, and the United States Space Force, presents findings and recommendations from a study on the state of quantum sensors for space applications, enabling component technologies, facilities, and developers across government, industry, and academia. The following five areas of quantum sensing technology (listed in alphabetical order) were identified as being of near-term interest to all three S&T Forum agencies: atomic clocks, atom interferometers, quantum magnetometers, Rydberg sensors, and single photon detectors. This paper focuses on two recommendations: 1) increased collaboration between the S&T Forum, industry, and academia on the development of enabling components for the five quantum sensing technology areas, and 2) challenges and future opportunities to take quantum sensors from the laboratory to space. Through this study, the S&T Forum found a diverse and broad community of quantum sensing developers in the United States that are leading efforts in research, testing, manufacturing, and qualification of quantum sensors and their enabling component technologies. There are common needs across quantum sensing technology areas. To address the common needs, the S&T Forum agencies are encouraged to utilize existing models and mechanisms to enable co-development of enabling component technologies and to explore new avenues for engagement with the quantum sensing community.

Grace C Ray↗

NASA NTRSDate not supplied

Accelerating the Deployment of Space-Based Quantum Sensors

The Space Science and Technology Partnership Forum (S&T Forum), comprised of an interagency team from the National Aeronautics and Space Administration, the National Reconnaissance Office, and the United States Space Force, presents findings and recommendations from a study on the state of quantum sensors for space applications, enabling component technologies, facilities, and developers across government, industry, and academia. The following five areas of quantum sensing technology (listed in alphabetical order) were identified as being of near-term interest to all three S&T Forum agencies: atomic clocks, atom interferometers, quantum magnetometers, Rydberg sensors, and single photon detectors. This paper focuses on two recommendations: 1) increased collaboration between the S&T Forum, industry, and academia on the development of enabling components for the five quantum sensing technology areas, and 2) challenges and future opportunities to take quantum sensors from the laboratory to space. Through this study, the S&T Forum found a diverse and broad community of quantum sensing developers in the United States that are leading efforts in research, testing, manufacturing, and qualification of quantum sensors and their enabling component technologies. There are common needs across quantum sensing technology areas. To address the common needs, the S&T Forum agencies are encouraged to utilize existing models and mechanisms to enable co-development of enabling component technologies and to explore new avenues for engagement with the quantum sensing community.

Grace C Ray↗

NASA NTRS1991

Investigating decoherence in a simple system

The results of some simple calculations designed to study quantum decoherence are presented. The physics of quantum decoherence are briefly reviewed, and a very simple 'toy' model is analyzed. Exact solutions are found using numerical techniques. The type of incoherence exhibited by the model can be changed by varying a coupling strength. The author explains why the conventional approach to studying decoherence by checking the diagonality of the density matrix is not always adequate. Two other approaches, the decoherence functional and the Schmidt paths approach, are applied to the toy model and contrasted to each other. Possible problems with each are discussed.

Albrecht, Andreas↗

NASA NTRS1991

Annealing characteristics of amorphous silicon alloy solar cells irradiated with 1.00 MeV protons

Amorphous Si:H and amorphous Si sub x, Ge sub (1-x):H solar cells were irradiated with 1.00 MeV proton fluences in the range of 1.00E14 to 1.25E15 cm (exp -2). Annealing of the short circuit current density was studied at 0, 22, 50, 100, and 150 C. Annealing times ranged from an hour to several days. The measurements confirmed that annealing occurs at 0 C and the initial characteristics of the cells are restored by annealing at 200 C. The rate of annealing does not appear to follow a simple nth order reaction rate model. Calculations of the short-circuit current density using quantum efficiency measurements and the standard AM1.5 global spectrum compare favorably with measured values. It is proposed that the degradation in J sub sc with irradiation is due to carrier recombination through the fraction of D (o) states bounded by the quasi-Fermi energies. The time dependence of the rate of annealing of J sub sc does appear to be consistent with the interpretation that there is a thermally activated dispersive transport mechanism which leads to the passivation of the irradiation induced defects.

Abdulaziz, Salman S.↗

NASA NTRS1992

Magnetic flux relaxation in YBa2Cu3O(7-x) thin film: Thermal or athermal

The magnetic flux relaxation behavior of YBa2Cu3O(7-x) thin film on LaAlO3 for H parallel c was studied in the range of 4.2-40 k and 0.2-1.0 T. Both the normalized flux relaxation rate (S) and the net flux pinning energy (U) increase continuously from 1.3 x 10 exp -2 to 3.0 x 10 exp -2 and from 70-240 meV respectively, as the temperature (T) increases from 10 to 40 K. This behavior is consistent with the thermally activated flux motion model. At low temperatures, however, S is found to decrease much more slowly as compared with kT, in contradiction to the thermal activation model. This behavior is discussed in terms of the athermal quantum tunneling of flux lines. The magnetic field dependence of U, however, is not completely understood.

Vitta, Satish↗

NASA NTRS1991

Stochastic inflation lattice simulations - Ultra-large scale structure of the universe

Non-Gaussian fluctuations for structure formation may arise in inflation from the nonlinear interaction of long wavelength gravitational and scalar fields. Long wavelength fields have spatial gradients, a (exp -1), small compared to the Hubble radius, and they are described in terms of classical random fields that are fed by short wavelength quantum noise. Lattice Langevin calculations are given for a toy model with a scalar field interacting with an exponential potential where one can obtain exact analytic solutions of the Fokker-Planck equation. For single scalar field models that are consistent with current microwave background fluctuations, the fluctuations are Gaussian. However, for scales much larger than our observable Universe, one expects large metric fluctuations that are non-Gaussian. This example illuminates non-Gaussian models involving multiple scalar fields which are consistent with current microwave background limits.

Salopek, D. S.↗

NASA NTRS1991

Magnetic flux relaxation in YBa2Cu3)(7-x) thin film: Thermal or athermal

The magnetic flux relaxation behavior of YBa2Cu3O(7-x) thin film on LaAlO3 for H is parallel to c was studied in the range 4.2 - 40 K and 0.2 - 1.0 T. Both the normalized flux relaxation rate S and the net flux pinning energy U increase continuously from 1.3 x 10(exp -2) to 3.0 x 10(exp -2) and from 70 to 240 meV respectively, as the temperature T increases from 10 to 40 K. This behavior is consistent with the thermally activated flux motion model. At low temperatures, however, S is found to decrease much more slowly as compared with kT, in contradiction to the thermal activation model. This behavior is discussed in terms of the athermal quantum tunneling of flux lines. The magnetic field dependence of U, however, is not completely understood.

Vitta, Satish↗

NASA NTRS2013

Galactic Cosmic Ray Event-Based Risk Model (GERM) Code

This software describes the transport and energy deposition of the passage of galactic cosmic rays in astronaut tissues during space travel, or heavy ion beams in patients in cancer therapy. Space radiation risk is a probability distribution, and time-dependent biological events must be accounted for physical description of space radiation transport in tissues and cells. A stochastic model can calculate the probability density directly without unverified assumptions about shape of probability density function. The prior art of transport codes calculates the average flux and dose of particles behind spacecraft and tissue shielding. Because of the signaling times for activation and relaxation in the cell and tissue, transport code must describe temporal and microspatial density of functions to correlate DNA and oxidative damage with non-targeted effects of signals, bystander, etc. These are absolutely ignored or impossible in the prior art. The GERM code provides scientists data interpretation of experiments; modeling of beam line, shielding of target samples, and sample holders; and estimation of basic physical and biological outputs of their experiments. For mono-energetic ion beams, basic physical and biological properties are calculated for a selected ion type, such as kinetic energy, mass, charge number, absorbed dose, or fluence. Evaluated quantities are linear energy transfer (LET), range (R), absorption and fragmentation cross-sections, and the probability of nuclear interactions after 1 or 5 cm of water equivalent material. In addition, a set of biophysical properties is evaluated, such as the Poisson distribution for a specified cellular area, cell survival curves, and DNA damage yields per cell. Also, the GERM code calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle in a selected material. The GERM code makes the numerical estimates of basic physical and biophysical quantities of high-energy protons and heavy ions that have been studied at the NASA Space Radiation Laboratory (NSRL) for the purpose of simulating space radiation biological effects. In the first option, properties of monoenergetic beams are treated. In the second option, the transport of beams in different materials is treated. Similar biophysical properties as in the first option are evaluated for the primary ion and its secondary particles. Additional properties related to the nuclear fragmentation of the beam are evaluated. The GERM code is a computationally efficient Monte-Carlo heavy-ion-beam model. It includes accurate models of LET, range, residual energy, and straggling, and the quantum multiple scattering fragmentation (QMSGRG) nuclear database.

Cucinotta, Francis A.↗

NASA NTRS2015

Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT composites.

Jensen, Benjamin D.↗