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DOE OSTI2025

Analysis of Radioactive Waste and Contamination using 3D Position-Sensitive CdZnTe Detectors

INTRODUCTION The US has surplus plutonium. This material will be diluted in gloveboxes at SRS [Ref 1 and 2]. This process will create holdup. Holdup is material in an unexpected or unwanted location. Because this holdup material is primarily PuO2, it must be accounted for (measured). This measurement is typically done using a liquid-nitrogen cooled, HPGe detector. To enable more rapid processing, advanced holdup technologies are being explored [Ref 3 and 4]. METHODS For the surplus plutonium dilute and dispose program, the traditional detector system could slow down the optimal operational tempo of the program. A multiple-detector system, providing complete glovebox coverage, based on CdZnTe crystals, 3D-positioning electronics, and a coded aperture mask, is in the process of being developed by ORNL and SRNL [Ref 4].

Whiteside, Tad [Savannah River National Laboratory↗

NASA NTRS2001

2D Quantum Transport Modeling in Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗

NASA NTRS2012

Climate Models

Climate models is a very broad topic, so a single volume can only offer a small sampling of relevant research activities. This volume of 14 chapters includes descriptions of a variety of modeling studies for a variety of geographic regions by an international roster of authors. The climate research community generally uses the rubric climate models to refer to organized sets of computer instructions that produce simulations of climate evolution. The code is based on physical relationships that describe the shared variability of meteorological parameters such as temperature, humidity, precipitation rate, circulation, radiation fluxes, etc. Three-dimensional climate models are integrated over time in order to compute the temporal and spatial variations of these parameters. Model domains can be global or regional and the horizontal and vertical resolutions of the computational grid vary from model to model. Considering the entire climate system requires accounting for interactions between solar insolation, atmospheric, oceanic and continental processes, the latter including land hydrology and vegetation. Model simulations may concentrate on one or more of these components, but the most sophisticated models will estimate the mutual interactions of all of these environments. Advances in computer technology have prompted investments in more complex model configurations that consider more phenomena interactions than were possible with yesterday s computers. However, not every attempt to add to the computational layers is rewarded by better model performance. Extensive research is required to test and document any advantages gained by greater sophistication in model formulation. One purpose for publishing climate model research results is to present purported advances for evaluation by the scientific community.

Druyan, Leonard M.↗

NASA NTRS2021

Pretest Computational Assessment of Boundary Layer Transition in the NASA Juncture Flow Model with an NACA 0015-Based Wing

The first two phases of the NASA Juncture Flow experiment were carried out on a DLR-F6 swept-wing model and were designed to provide “CFD validation-quality” data toward the assessment and improvement of existing CFD turbulence models in predicting onset and extent of three-dimensional separated flow near the wing-juncture trailing-edge region. The next phase of experiments will involve an NACA 0015-based swept wing, as prior risk reduction experiments had indicated that this wing shape resulted in reduced separation near the juncture region than the DLR-F6 wing, thus providing a better option to evaluate the ability of CFD models to predict incipient turbulent separation. The NACA 0015 measurements will also include IR thermography to infer the variation of transition front with respect to an increasing angle of attack. The primary objective of this work is to computationally make a preliminary assessment of the transition front on both surfaces of the NACA 0015 wing at a crank-chord-based Reynolds number of 2.4 x 106 for four different angles of attack, (0°, 2.5°, 5°, and 7.5°) and to determine the dominant mechanisms responsible for transition. This assessment includes both RANS-based transition models from NASA’s OVERFLOW 2.3b flow solver and linear parabolized stability equations (PSE) stability analysis based on the Langley Stability and Transition Analysis code, LASTRAC. Linear PSE results indicate that the upper surface of the wing is dominated by Tollmien- Schlichting (TS) instabilities, and that the laminar flow region shrinks from about 50% chord to a very small region just downstream of the attachment line as the angle of attack is increased from 0° to 7.5°. Consequently, the transition fronts predicted by the Spalart- Allmaras-based amplification factor transport (AFT-2017b) equation model (which accounts for the TS instabilities alone) and the Menter’s shear-stress transport equation (SST2003)- based Langtry-Menter transition model with ability to account for both TS and crossflow effects (LM2015) compare well with those predicted using linear PSE. On the lower surface of the wing, stationary crossflow (CF) instabilities begin to appear on the inboard portion of the wing in addition to the TS-instabilities for the larger angles of attack (5° and 7.5°), further reducing the laminar flow extent within the inboard region. The LM2015 model that accounts for CF effects is able to replicate this trend but appears to predict a slightly earlier transition. The outcome of this effort will inform the experiment and, when the actual experimental data become available, provide further opportunity to assess and improve the various transition models.

CFD modeling↗

NASA NTRS2021

Pretest Computational Assessment of Boundary Layer Transition in the NASA Juncture Flow Model with an NACA 0015-Based Wing

CFD modeling↗

DOE OSTI2016

Image processing analysis of nuclear track parameters for CR-39 detector irradiated by thermal neutron

CR-39 detector which covered with boric acid (H{sub 3}Bo{sub 3}) pellet was irradiated by thermal neutrons from ({sup 241}Am - {sup 9}Be) source with activity 12Ci and neutron flux 10{sup 5} n. cm{sup −2}. s{sup −1}. The irradiation times -T{sub D} for detector were 4h, 8h, 16h and 24h. Chemical etching solution for detector was sodium hydroxide NaOH, 6.25N with 45 min etching time and 60 C° temperature. Images of CR-39 detector after chemical etching were taken from digital camera which connected from optical microscope. MATLAB software version 7.0 was used to image processing. The outputs of image processing of MATLAB software were analyzed and found the following relationships: (a) The irradiation time -T{sub D} has behavior linear relationships with following nuclear track parameters: i) total track number - N{sub T} ii) maximum track number - MRD (relative to track diameter - D{sub T}) at response region range 2.5 µm to 4 µm iii) maximum track number - M{sub D} (without depending on track diameter - D{sub T}). (b) The irradiation time -T{sub D} has behavior logarithmic relationship with maximum track number - M{sub A} (without depending on track area - A{sub T}). The image processing technique principally track diameter - D{sub T} can be take into account to classification of α-particle emitters, In addition to the contribution of these technique in preparation of nano- filters and nano-membrane in nanotechnology fields.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Comparing Measured (a,n) Thick Target Yields to MCNP6 using TENDL 2012 Libraries - Paper 31

MCNP6, due to the heritage of MCNPX, has always possessed the capability to transport the light ions, such as alpha particles. Two types of competing physics take place during the particle transport: atomic and nuclear physics. Charged particles lose energy to media due to Coulombic interactions. MCNP6 models Coulombic interactions through the use of the continuous slowing down approximation. Stopping powers are calculated at a variety of energies using the Bethe-Bloch formula with Sternheimer and Peierls density effect correction. For energies less than 1.31 MeV/AMU, a low-energy SPAR model is used. When the energy of the particle is high enough, there is a transition from nuclear interactions to nucleon interactions. MCNP6 possess various physics models to account for these types of intra-nuclear cascades. These models are less accurate at low energies. Even though MCNP6 will transport these light ions to low energies (i.e. less than 20 MeV), most of the available model physics in MCNP6, for nuclear interactions, has a suggested minimum energy of ∼20-200 MeV. The result of the poorer prediction at low energies causes important light ion events, such as F-19(a,n)Na-22 from U-234 decay in UF{sub 6}, to produce orders of magnitude fewer neutrons in MCNP6 than should be emitted. As with neutrons, ACE (A Compact ENDF) formatted light ion libraries have been developed from several different evaluations. These libraries possess better physics at low energies where the physics models break down. The TENDL 2012 evaluations possess alpha transport libraries, in ACE format, such that they can easily be used with codes like MCNP6 that read ACE formatted cross sections. As a result, a capability was developed for MCNP6 to read and implement these library cross sections when the light ion reached energies below the library upper energy cutoff. Perfectly modelling an experiment for benchmark comparisons to a code calculation can be tricky. For complex setups, systematic error is always possible; and usually a hefty uncertainty analysis is required to quantify just the geometry setup and material combination choices. For an (a,n) interaction, a thick target yield is defined as the amount of neutrons emitted given that the alpha ranges out in the material. For alpha transport at low energy <10 MeV, in reasonably dense materials (>1-2 g/cc), with a material dimension length larger than a few hundred microns, alpha particles will tend to completely stop and range out in the material. For Li, Be, B, C, N, O, F, Na, Mg and Al thick target yields exist in 200 keV intervals from 1 to 9.8 MeV (most of the elements do have (a,n) thresholds above 1 MeV). Because modelling a thick target yield in MCNP6 is much easier than attempting to account for the complexity of systematic error from a full out experiment, we present here comparisons of (a,n) thick target yields to those calculated in MCNP6 using the TENDL 2012 alpha library evaluations.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2025

Synchronous detection of cosmic rays and correlated errors in superconducting qubit arrays

Quantum information processing at scale will require sufficiently stable and long-lived qubits, likely enabled by error-correction codes. Several recent superconducting-qubit experiments, however, reported observing intermittent spatiotemporally correlated errors that would be problematic for conventional codes, with ionizing radiation being a likely cause. Here, we directly measured the cosmic-ray contribution to spatiotemporally correlated qubit errors. We accomplished this by synchronously monitoring cosmic-ray detectors and qubit energy-relaxation dynamics of 10 transmon qubits distributed across a 5 × 5 × 0.35 mm 3 silicon chip. Cosmic rays caused correlated errors at a rate of $1/\left(592\begin{array}{c}+48\\ -41\end{array}\,{\rm{s}}\right)$, accounting for 17.1 ± 1.3% of all such events. Our qubits responded to essentially all of the cosmic rays and their secondary particles incident on the chip, consistent with the independently measured arrival flux. Moreover, we observed that the landscape of the superconducting gap in proximity to the Josephson junctions dramatically impacts the qubit response to cosmic rays. Given the practical difficulties associated with shielding cosmic rays, our results indicate the importance of radiation hardening—for example, superconducting gap engineering—to the realization of robust quantum error correction.

Science & Technology - Other Topics↗

DOE OSTI2014

Instabilities of collisionless current sheets revisited: The role of anisotropic heating

In this work, we investigate the influence of the anisotropic heating on the spontaneous instability and evolution of thin Harris-type collisionless current sheets, embedded in antiparallel magnetic fields. In particular, we explore the influence of the macroparticle shape-function using a 2D version of the PIC code ACRONYM. We also investigate the role of the numerical collisionality due to the finite number of macroparticles in PIC codes. It is shown that it is appropriate to choose higher order shape functions of the macroparticles compared to a larger number of macroparticles per cell. This allows to estimate better the anisotropic electron heating due to the collisions of macroparticles in a PIC code. Temperature anisotropies can stabilize the tearing mode instability and trigger additional current sheet instabilities. We found a good agreement between the analytically derived threshold for the stabilization of the anisotropic tearing mode and other instabilities, either spontaneously developing or initially triggered ones. Numerical effects causing anisotropic heating at electron time scales become especially important for higher mass ratios (above m{sub i}/m{sub e}=180). If numerical effects are carefully taken into account, one can recover the theoretical estimated linear growth rates of the tearing instability of thin isotropic collisionless current sheets, also for higher mass ratios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Sensitivity and uncertainty analysis of reactivities for UO2 and MOX fueled PWR cells

The purpose of this paper is to apply our improved method for calculating sensitivities and uncertainties of reactivity responses for UO{sub 2} and MOX fueled pressurized water reactor cells. The improved method has been used to calculate sensitivity coefficients relative to infinite dilution cross-sections, where the self-shielding effect is taken into account. Two types of reactivities are considered: Doppler reactivity and coolant void reactivity, for each type of reactivity, the sensitivities are calculated for small and large perturbations. The results have demonstrated that the reactivity responses have larger relative uncertainty than eigenvalue responses. In addition, the uncertainty of coolant void reactivity is much greater than Doppler reactivity especially for large perturbations. The sensitivity coefficients and uncertainties of both reactivities were verified by comparing with SCALE code results using ENDF/B-VII library and good agreements have been found.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Codon2Vec v1.0

Background: Codon2Vec is an embedding neural network that predicts 'high' or 'low' gene expression directly from the protein-coding sequences. Embedding neural networks are commonly used for natural language processing (NLP) applications. Analogous to how an English sentence is a string of words, a gene can be thought of as a string of codons. Similar to how NLP neural networks model English sentences as a non-random sequence of words, we considered a coding sequence as a non-random non-overlapping array of codons (k-mers of length = 3). Value Proposition: - Codon2Vec achieved a high median AUC-ROC score of 83.8% when trained and applied to transcriptomic data from 300 fungal species - Unlike Codo2Vec, conventional methods predicting for expression based on codon usage rely on a priori knowledge of optimal codons or a set of reference genes. - Unlike Codon2vec, these methods do not account for the effect of codon order on gene expression. - Codon2Vec neural network bypasses the need for artisanal feature selection step that is necessary for traditional machine learning models.

Wint, Rhondene↗

NASA NTRS1989

The internet worm

In November 1988 a worm program invaded several thousand UNIX-operated Sun workstations and VAX computers attached to the Research Internet, seriously disrupting service for several days but damaging no files. An analysis of the work's decompiled code revealed a battery of attacks by a knowledgeable insider, and demonstrated a number of security weaknesses. The attack occurred in an open network, and little can be inferred about the vulnerabilities of closed networks used for critical operations. The attack showed that passwork protection procedures need review and strengthening. It showed that sets of mutually trusting computers need to be carefully controlled. Sharp public reaction crystalized into a demand for user awareness and accountability in a networked world.

Denning, Peter J.↗

NASA NTRS1990

Integrated controls-structures optimization of a large space structure

A technique for the simultaneous optimization of structural and control elements of a large space structure is developed and demonstrated for a test problem, the NASA COFS-I Mast Flight System. General-purpose control and structural-analysis codes are applied directly to a large detailed model, with realistic objective and constraint functions. The steps in the process (structural optimization, control optimization, and system coordination) are described and illustrated with diagrams; the numerical implementation (using different computers for different steps) is discussed; and results showing significant design improvements in three COFS-I configurations are presented in graphs. When the weights of both structure and power-generating equipment are taken into account, a 40-bay truss design is found to be better than designs with 42 or 44 bays.

Padula, Sharon L.↗

NASA NTRS1989

Direct simulation of rarefied hypersonic flows

As the capability of the space transportation vehicles (STV's) expand to meet the requirements for future space exploration and utilization, the effects of rarefied hypersonic flows will play a more significant role in defining the aerodynamic and aerothermodynamic performance of STV's. This is particularly true of the low lift/drag aeroassisted STV's where aerobraking occurs at relatively high altitudes and high velocity. Because of the limitations of the continuum description as expressed by the Navier-Stokes equations and the difficulties of solving the Boltzmann equation, the particle of molecular approach has been developed over the last three decades for modeling rarefied gas effects. The direct simulation Monte Carlo (DSMC) method of Bird is the most used method today for simulating rarefied flows. The DSMC method provides a direct physical simulation as opposed to a numerical solution of a set of model equations. This is accomplished by developing phenomenological models of the relevant physical events. The DSMC method accounts for translational, thermal, chemical, and radiative nonequilibrium effects. The general features of the DSMC method, the numerical requirements for obtaining meaningful results, the modeling used to simulate high temperature gas effects, and applications of the method to calculate the flow about an aeroassist flight experiment vehicle (AFE) are reviewed. The AFE simulates a geosynchronous return while entering the Earth's upper atmosphere at approximately 10 km/s. Results obtained using a general 3-D code are presented for the more rarefied portion of the atmospheric encounter (altitudes of 200 to 100 km) emphasizing surface, flowfield, and aerodynamic characteristics of the AFE. Finally, results obtained using axisymmetric and 1-D versions of the code are presented for lower altitude conditions.

Moss, James N.↗

NASA NTRS1991

Development of a set of equations for incorporating disk flexibility effects in rotordynamical analyses

Rotordynamical equations that account for disk flexibility are developed. These equations employ free-free rotor modes to model the rotor system. Only transverse vibrations of the disks are considered, with the shaft/disk system considered to be torsionally rigid. Second order elastic foreshortening effects that couple with the rotor speed to produce first order terms in the equations of motion are included. The approach developed in this study is readily adaptable for usage in many of the codes that are current used in rotordynamical simulations. The equations are similar to those used in standard rigid disk analyses but with additional terms that include the effects of disk flexibility. An example case is presented to demonstrate the use of the equations and to show the influence of disk flexibility on the rotordynamical behavior of a sample system.

Flowers, George T.↗

NASA NTRS2000

2D Quantum Mechanical Study of Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗

NASA NTRS2012

GERMcode: A Stochastic Model for Space Radiation Risk Assessment

A new computer model, the GCR Event-based Risk Model code (GERMcode), was developed to describe biophysical events from high-energy protons and high charge and energy (HZE) particles that have been studied at the NASA Space Radiation Laboratory (NSRL) for the purpose of simulating space radiation biological effects. In the GERMcode, the biophysical description of the passage of HZE particles in tissue and shielding materials is made with a stochastic approach that includes both particle track structure and nuclear interactions. The GERMcode accounts for the major nuclear interaction processes of importance for describing heavy ion beams, including nuclear fragmentation, elastic scattering, and knockout-cascade processes by using the quantum multiple scattering fragmentation (QMSFRG) model. The QMSFRG model has been shown to be in excellent agreement with available experimental data for nuclear fragmentation cross sections. For NSRL applications, the GERMcode evaluates a set of biophysical properties, such as the Poisson distribution of particles or delta-ray hits for a given cellular area and particle dose, the radial dose on tissue, and the frequency distribution of energy deposition in a DNA volume. By utilizing the ProE/Fishbowl ray-tracing analysis, the GERMcode will be used as a bi-directional radiation transport model for future spacecraft shielding analysis in support of Mars mission risk assessments. Recent radiobiological experiments suggest the need for new approaches to risk assessment that include time-dependent biological events due to the signaling times for activation and relaxation of biological processes in cells and tissue. Thus, the tracking of the temporal and spatial distribution of events in tissue is a major goal of the GERMcode in support of the simulation of biological processes important in GCR risk assessments. In order to validate our approach, basic radiobiological responses such as cell survival curves, mutation, chromosomal aberrations, and representative mouse tumor induction curves are implemented into the GERMcode. Extension of these descriptions to other endpoints related to non-targeted effects and biochemical pathway responses will be discussed.

Kim, Myung-Hee Y.↗

DOE OSTI2014

Limitations of the TG-43 formalism for skin high-dose-rate brachytherapy dose calculations

Purpose: In skin high-dose-rate (HDR) brachytherapy, sources are located outside, in contact with, or implanted at some depth below the skin surface. Most treatment planning systems use the TG-43 formalism, which is based on single-source dose superposition within an infinite water medium without accounting for the true geometry in which conditions for scattered radiation are altered by the presence of air. The purpose of this study is to evaluate the dosimetric limitations of the TG-43 formalism in HDR skin brachytherapy and the potential clinical impact. Methods: Dose rate distributions of typical configurations used in skin brachytherapy were obtained: a 5 cm × 5 cm superficial mould; a source inside a catheter located at the skin surface with and without backscatter bolus; and a typical interstitial implant consisting of an HDR source in a catheter located at a depth of 0.5 cm. Commercially available HDR{sup 60}Co and {sup 192}Ir sources and a hypothetical {sup 169}Yb source were considered. The Geant4 Monte Carlo radiation transport code was used to estimate dose rate distributions for the configurations considered. These results were then compared to those obtained with the TG-43 dose calculation formalism. In particular, the influence of adding bolus material over the implant was studied. Results: For a 5 cm × 5 cm{sup 192}Ir superficial mould and 0.5 cm prescription depth, dose differences in comparison to the TG-43 method were about −3%. When the source was positioned at the skin surface, dose differences were smaller than −1% for {sup 60}Co and {sup 192}Ir, yet −3% for {sup 169}Yb. For the interstitial implant, dose differences at the skin surface were −7% for {sup 60}Co, −0.6% for {sup 192}Ir, and −2.5% for {sup 169}Yb. Conclusions: This study indicates the following: (i) for the superficial mould, no bolus is needed; (ii) when the source is in contact with the skin surface, no bolus is needed for either {sup 60}Co and {sup 192}Ir. For lower energy radionuclides like {sup 169}Yb, bolus may be needed; and (iii) for the interstitial case, at least a 0.1 cm bolus is advised for {sup 60}Co to avoid underdosing superficial target layers. For {sup 192}Ir and {sup 169}Yb, no bolus is needed. For those cases where no bolus is needed, its use might be detrimental as the lack of radiation scatter may be beneficial to the patient, although the 2% tolerance for dose calculation accuracy recommended in the AAPM TG-56 report is not fulfilled.

61 RADIATION PROTECTION AND DOSIMETRY↗