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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Minimal sufficient positive-operator valued measure on a separable Hilbert space

We introduce a concept of a minimal sufficient positive-operator valued measure (POVM), which is the least redundant POVM among the POVMs that have the equivalent information about the measured quantum system. Assuming the system Hilbert space to be separable, we show that for a given POVM, a sufficient statistic called a Lehmann-Scheffé-Bahadur statistic induces a minimal sufficient POVM. We also show that every POVM has an equivalent minimal sufficient POVM and that such a minimal sufficient POVM is unique up to relabeling neglecting null sets. We apply these results to discrete POVMs and information conservation conditions proposed by the author.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Interference between Coulombic and CT-mediated couplings in molecular aggregates: H- to J-aggregate transformation in perylene-based π-stacks

The spectroscopic differences between J and H-aggregates are traditionally attributed to the spatial dependence of the Coulombic coupling, as originally proposed by Kasha. However, in tightly packed molecular aggregates wave functions on neighboring molecules overlap, leading to an additional charge transfer (CT) mediated exciton coupling with a vastly different spatial dependence. The latter is governed by the nodal patterns of the molecular LUMOs and HOMOs from which the electron (t{sub e}) and hole (t{sub h}) transfer integrals derive. The sign of the CT-mediated coupling depends on the sign of the product t{sub e}t{sub h} and is therefore highly sensitive to small (sub-Angstrom) transverse displacements or slips. Given that Coulombic and CT-mediated couplings exist simultaneously in tightly packed molecular systems, the interference between the two must be considered when defining J and H-aggregates. Generally, such π-stacked aggregates do not abide by the traditional classification scheme of Kasha: for example, even when the Coulomb coupling is strong the presence of a similarly strong but destructively interfering CT-mediated coupling results in “null-aggregates” which spectroscopically resemble uncoupled molecules. Based on a Frenkel/CT Holstein Hamiltonian that takes into account both sources of electronic coupling as well as intramolecular vibrations, vibronic spectral signatures are developed for integrated Frenkel/CT systems in both the perturbative and resonance regimes. In the perturbative regime, the sign of the lowest exciton band curvature, which rigorously defines J and H-aggregation, is directly tracked by the ratio of the first two vibronic peak intensities. Even in the resonance regime, the vibronic ratio remains a useful tool to evaluate the J or H nature of the system. The theory developed is applied to the reversible H to J-aggregate transformations recently observed in several perylene bisimide systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Second harmonic generation by self-focusing of intense hollow Gaussian laser beam in collisionless plasma

The effect of self focused hollow Gaussian laser beam (HGLB) (carrying null intensity in center) on the excitation of electron plasma wave (EPW) and second harmonic generation (SHG) has been investigated in collisionless plasma, where relativistic-ponderomotive and only relativistic nonlinearities are operative. The relativistic change of electron mass and the modification of the background electron density due to ponderomotive nonlinearity lead to self-focusing of HGLB in plasma. Paraxial ray theory has been used to derive coupled equations for the self focusing of HGLB in plasma, generation of EPW, and second harmonic. These coupled equations are solved analytically and numerically to study the laser intensity in the plasma, electric field associated with the excited EPW, and the power of SHG. Second harmonic emission is generated due to nonlinear coupling between incident HGLB and EPW satisfying the proper phase matching conditions. The results show that the effect of including the ponderomotive nonlinearity is significant on the generation of EPW and second harmonic. The electric field associated with EPW and the power of SHG are found to be highly sensitive to the order of the hollow Gaussian beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Occupational exposure assessment: Practices in Malaysian nuclear agency

Malaysian Nuclear Agency (Nuclear Malaysia) is the leading agency in introducing and promoting the application of nuclear science technology in Malaysia. The agency provides major nuclear facilities purposely for research and commercialisation such as reactor, irradiation plants and radioisotope production laboratory. When dealing with ionizing radiation, there is an obligatory requirement to monitor and assess the radiation exposure to the workers. The personal dose of radiation workers were monitored monthly by assessing their Thermoluminescence Dosimeter (TLD) dose reading. This paper will discuss the current practice in managing, assessing, record keeping and reporting of the occupational exposure in Nuclear Malaysia including the Health Physic Group roles and challenges. The statistics on occupational radiation exposure of monitored workers working in different fields in Nuclear Malaysia from 2011 - 2013 will also be presented. The results show that the null hypothesis (H{sub 0}) was accepted which the means of every populations are all equal or not differ significantly. This hypothesis states that the dose exposure received by the radiation workers in Nuclear Malaysia is similar and there were no significant changes from 2011 to 2013. The radiation monitoring programme correlate with the requirement of our national law, the Atomic Energy Licensing Act 1984 (Act 304)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

Entanglement-saving channels

The set of Entanglement Saving (ES) quantum channels is introduced and characterized. These are completely positive, trace preserving transformations which when acting locally on a bipartite quantum system initially prepared into a maximally entangled configuration, preserve its entanglement even when applied an arbitrary number of times. In other words, a quantum channel ψ is said to be ES if its powers ψ{sup n} are not entanglement-breaking for all integers n. We also characterize the properties of the Asymptotic Entanglement Saving (AES) maps. These form a proper subset of the ES channels that is constituted by those maps that not only preserve entanglement for all finite n but which also sustain an explicitly not null level of entanglement in the asymptotic limit n → ∞. Structure theorems are provided for ES and for AES maps which yield an almost complete characterization of the former and a full characterization of the latter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Modeling of advanced divertor configuration on experimental advanced superconducting tokamak by SOLPS5.0/B2.5-Eirene

Heat exhaust is one of the most challenging issues to be addressed for tokamak magnetic confinement fusion research. Detailed modeling with SOLPS5.0/B2.5-Eirene code package is carried out to examine an alternative advanced divertor configuration, i.e., quasi snowflake (QSF), for long pulse operation in EAST. Comparison is also made with the lower single null (LSN) divertor configuration. SOLPS predicts that the quasi snowflake configuration significantly reduces the peak heat flux at the lower divertor outer target, by a factor of 2–3, owing to the magnetic flux expansion. Furthermore, the density threshold for detachment is much lower for QSF, compared to LSN under the same upstream conditions. This indicates that QSF provides a promising tool for controlling heat flux at divertor target while maintaining a lower separatrix density, which is highly desirable for current drive, thus greatly facilitating long-pulse operation in EAST.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A maximum likelihood analysis of the CoGeNT public dataset

The CoGeNT detector, located in the Soudan Underground Laboratory in Northern Minnesota, consists of a 475 grams (fiducial mass of 330 grams) target mass of p-type point contact germanium detector that measures the ionization charge created by nuclear recoils. This detector has searched for recoils created by dark matter since December of 2009. We analyze the public dataset from the CoGeNT experiment to search for evidence of dark matter interactions with the detector. We perform an unbinned maximum likelihood fit to the data and compare the significance of different WIMP hypotheses relative to each other and the null hypothesis of no WIMP interactions. This work presents the current status of the analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Sterile neutrinos

We characterize statistically the indications of a presence of one or more light sterile neutrinos from MiniBooNE and LSND data, together with the reactor and gallium anomalies, in the global context. The compatibility of the aforementioned signals with null results from solar, atmospheric, reactor, and accelerator experiments is evaluated. We conclude that a severe tension is present in the global fit, and therefore the addition of eV-scale sterile neutrinos does not satisfactorily explain the anomalies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Observation of an edge coherent mode and poloidal flow in the electron cyclotron wave induced high β{sub p} plasma in QUEST

Fluctuations are measured in the edge and scrape-off layer (SOL) of QUEST using fast visible imaging diagnostic. Electron cyclotron wave injection in the Ohmic plasma features excitation of low frequency coherent fluctuations near the separatrix and enhanced cross-field transport. Plasma shifts from initial high field side limiter bound (inboard limited, IL) towards inboard poloidal null (IPN) configuration with steepening of the density profile at the edge. This may have facilitated the increased edge and SOL fluctuation activities. Observation of the coherent mode, associated plasma flow, and particle out-flux, for the first time in the IPN plasma configuration in a spherical tokamak may provide further impetus to the edge and SOL turbulence studies in tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

On Lorentz invariants in relativistic magnetic reconnection

Lorentz invariants whose nonrelativistic correspondences play important roles in magnetic reconnection are discussed in this paper. Particularly, the relativistic invariant of the magnetic reconnection rate is defined and investigated in a covariant two-fluid model. Certain Lorentz covariant representations for energy conversion and magnetic structures in reconnection processes are also investigated. Furthermore, relativistic measures for topological features of reconnection sites, particularly magnetic nulls and separatrices, are analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Kinetic particle simulations in a global toroidal geometry

The gyrokinetic toroidal code has been upgraded for global simulations by coupling the core and scrape-off layer regions across the separatrix with field-aligned particle-grid interpolations. A fully kinetic particle pusher for high frequency waves (ion cyclotron frequency and beyond) and a guiding center pusher for low frequency waves have been implemented using cylindrical coordinates in a global toroidal geometry. The two integrators correctly capture the particle orbits and agree well with each other, conserving energy and canonical angular momentum. As a verification and application of this new capability, ion guiding center simulations have been carried out to study ion orbit losses at the edge of the DIII-D tokamak for single null magnetic separatrix discharges. The ion loss conditions are examined as a function of the pitch angle for cases without and with a radial electric field. We report the simulations show good agreement with past theoretical results and with the experimentally observed feature in which high energy ions flow out along the ion drift orbits and then hit the divertor plates. A measure of the ion direct orbit loss fraction shows that the loss fraction increases with the ion energy for DIII-D in the initial velocity space. Finally, as a further verification of the capability of the new code, self-consistent simulations of zonal flows in the core region of the DIII-D tokamak were carried out. All DIII-D simulations were performed in the absence of turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Simulation of supersonic molecular beam injection fueling into H-mode plasmas on EAST using BOUT++

Transport dynamic 2D simulations for supersonic molecular beam injection (SMBI) fueling into H-mode deuterium plasmas on the Experimental Advanced Superconducting Tokamak (EAST) is first simulated using a seven-field two-fluid model in the BOUT++ framework. The SMB is assumed to be injected into plasma from the midplane at the low field side with a fixed width and constant molecular flux. The different densities and injection velocities of SMBI are investigated within the upper single-null geometry of EAST. The simulations indicate that the SMBI has a self-shielding effect on molecules' inward transport into the plasma, and the deposition of SMBI leads to a large increase in plasma density and decrease in plasma temperature. There is a velocity threshold for SMB penetrating the pedestal and depositing at the top of density pedestal. However, the deposition point would be back toward the plasma boundary after SMB arriving at the deepest penetration position. Comparing the different molecular injection velocities and densities, the outcomes demonstrate that the depth of deposition is closely related to the injection velocity rather than the molecular density. The simulated results show good agreement with the EAST experiments by comparing the electron density profiles obtained by simulation and experiment, respectively. These results will be helpful for guiding future experiments, as well as the design of the SMBI system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Results from a new flowing liquid Li limiter with TZM substrate during high confinement plasmas in the EAST device

A third generation flowing liquid lithium (FLiLi) limiter with a substrate made of TZM, an alloy with >99% Mo, was fabricated by conventional manufacturing techniques. TZM has a high corrosion resistance, a high sputtering threshold, and a good wettability to Li, as compared to stainless steel (SS), which had been used as an FLiLi substrate surface in 2014 and 2016. The third generation FLiLi was inserted into the edge in EAST H-mode plasmas in an upper single-null configuration with an ion grad-B drift toward the upper divertor with a limiter temperature of 330–380 °C and an auxiliary heating power of about 2–8 MW. Analysis has shown that by using TZM FLiLi, fuel particle recycling continuously decreased and near-complete edge localized mode elimination was achieved in H-mode plasmas with RF-only heating. The main impurities during the initial FLiLi discharges were Mo, Fe, and W resulting from strong plasma interaction at the Mo plate side, the SS collector, and the upper W divertor. Plasma stored energy increased by about 10 kJ in subsequent FLiLi discharges due to decreased impurity radiation. Engineering analysis shows a uniform lithium flow with an ~80% Li coverage ratio on the limiter surface, similar to the second FLiLi, even though only one of two J × B pumps was functioning. Despite technical difficulties, the FLiLi gen.3 improved the overall plasma performance, providing support for flowing liquid Li plasma facing component applications in present and future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

A WKB based preconditioner for the 1D Helmholtz wave equation

Frequency-domain full-wave solutions to the cold-plasma problem have become ubiquitous in the study of radio frequency power in fusion plasmas. However, recent efforts at extreme levels of geometric fidelity have revealed fundamental limits in the problem size that can be solved by typical sparse direct solver based methods. These limits are of particular importance in the 3D study of RF launchers, where the number of degrees of freedom required can exceed 100 million. In such cases, it would be advantageous to solve the system via iterative means, but due to the large null space of the curl-curl operator, the convergence properties of algorithms like GMRES are poor. Here we present a physics-based preconditioner in the form of a WKB solution and demonstrate the iterative solution to the frequency-domain Helmholtz problem in 1D for several cases ranging from satisfying the WKB approximation to strongly violating it.

Green, David↗
DOE OSTI2021

Simulations of heat fluxes in an ELMy H-mode discharge on HL-2A

In order to study the distribution and evolution of the transient heat flux on HL-2A during edge-localized-mode (ELM) bursts, the BOUT++ electromagnetic six-field two-fluid model is used to simulate the pedestal collapse under the lower single-null divertor geometry. The equilibrium profiles of HL-2A ELMy H-mode discharge No. 24 953 are adopted as the initial condition in the original case. In this instance, linear analysis shows that the resistive ballooning mode (RBM) and drift-Alfven wave are unstable to this equilibrium, and RBM is the dominant instability. The evolutions of the radial heat fluxes at the outer mid-plane and heat fluxes to the inner and outer targets during the ELM event are presented. Six more equilibria are constructed based on the original case to find out the influence of the pedestal profiles on the peak electron heat flux. The results indicate that the heat flux increases with temperature and/or density, and the theoretical analysis and simulation results consistently show that the heat flux q ∥e is proportional to n e0,SEP $T^{\frac32}_{e0,SEP}$.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The “good,” the “bad,” and the “hidden” in neutron scattering and molecular dynamics of ionic aqueous solutions

We characterize a concentrated 7.3 m CaCl 2 solution, combining neutron diffraction with chloride isotopic substitution (Cl-NDIS) in null water and molecular dynamics (MD) simulations. We elucidate the solution structure, thermodynamic properties, and extent of ion pairing previously suggested as concentration-dependent and often not observed at lower concentrations. Our Cl-NDIS measurements designate the solvent-shared ion pairing as dominant and the contact ion pairing (CIP) as insignificant even under conditions close to the solubility limit. The MD models parameterized against neutron diffraction with calcium isotopic substitution (Ca-NDIS) overestimate CIP despite successfully reproducing most of the Cl-NDIS signal. This drawback originates from the fact that Ca 2+ –Cl - interactions were primarily “hidden” in the Ca-NDIS signal due to overlapping with Ca 2+ –O w and Ca 2+ –H w contributions to the total scattering. Contrary, MD models with moderate CIP and possessing generally good performance at high concentrations fail to reproduce the NDIS measurements accurately. Therefore, the electronic polarization, introduced in most of the recent MD models via scaling ionic charges, resolves some but not all parameterization drawbacks. We conclude that despite improving the quality of MD models “on average,” the question “which model is the best” has not been answered but replaced by the question “which model is better for a given research.” An overall “good” model can still be inappropriate or, in some instances, “bad” and, unfortunately, produce erroneous results. Additionally, the accurate interpretation of several NDIS datasets, complemented by MD simulations, can prevent such mistakes and help identify the strengths, weaknesses, and convenient applications for corresponding computational models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Empirical probability and machine learning analysis of m , n = 2, 1 tearing mode onset parameter dependence in DIII-D H-mode scenarios

m, n = 2, 1 tearing mode onset empirical probability and machine learning analyses of a multiscenario DIII-D database of over 14 000 H-mode discharges show that the normalized plasma beta, the rotation profile, and the magnetic equilibrium shape have the strongest impact on the 2,1 tearing mode stability, in qualitative agreement with neoclassical tearing modes (m and n are the poloidal and toroidal mode numbers, respectively). In addition, 2,1 tearing modes are most likely to destabilize when n > 1 tearing modes are already present in the core plasma. The covariance matrix of tearing sensitive plasma parameters takes a nearly block-diagonal form, with the blocks incorporating thermodynamic, current and safety factor profile, separatrix shape, and plasma flow parameters, respectively. This suggests a number of paths to improved stability at fixed pressure and edge safety factor primarily by preserving a minimum of 1 kHz differential rotation, increasing the minimum safety factor above unity, using upper single null magnetic configuration, and reducing the core impurity radiation. In addition, lower triangularity, lower elongation, and lower pedestal pressure may also help to improve stability. Furthermore, the electron and ion temperature, collisionality, resistivity, internal inductance, and the parallel current gradient appear to only weakly correlate with the 2,1 tearing mode onsets in this database.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Numerical implications of including drifts in SOLPS-ITER simulations of EAST

The inclusion of drifts in plasma edge codes like SOLPS-ITER is required to match simulation data with experimental profiles. However, this remains numerically challenging. In this paper, the effect of some numerical factors on the final plasma solution is investigated. This study is performed on three EAST simulations in the upper single null configuration: an attached purely deuterium case, an attached case with limited Ne-seeding, and a detached Ne-seeded case. The effects of the anomalous conductivity and anomalous thermo-electric coefficient on the plasma potential are investigated. Next, the effect of the employed grids is shown. In order to investigate these effects, accurate drift simulations are needed. Therefore, the employed time step and numerical parameters are discussed for the three studied simulations. For all presented simulations, it is verified that the restriction of the grid to the first flux surface tangent to the main chamber wall is sufficient within the context of non-extended simulations. This means that the main power dissipation takes place inside the simulated domain, and only a small fraction of the power is leaving the B2.5 grid through the grid boundary closest to the first wall. Finally, the effect of drifts on the asymmetry between the inner and outer target for EAST simulations is demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗