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Neutron-Irradiated Samples as Test Materials for MPEX
Plasma Material Interaction (PMI) is a major concern in fusion reactor design and analysis. The Material-Plasma Exposure eXperiment (MPEX) will explore PMI under fusion reactor plasma conditions. Samples with accumulated displacements per atom (DPA) damage produced by fast neutron irradiations in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) will be studied in the MPEX facility. This paper presents assessments of the calculated induced radioactivity and resulting radiation dose rates of a variety of potential fusion reactor plasma-facing materials (such as tungsten). The scientific code packages MCNP and SCALE were used to simulate irradiation of the samples in HFIR including the generation and depletion of nuclides in the material and the subsequent composition, activity levels, gamma radiation fields, and resultant dose rates as a function of cooling time. A challenge of the MPEX project is to minimize the radioactive inventory in the preparation of the samples and the sample dose rates for inclusion in the MPEX facility.
Putative Mixotrophic Nitrifying-Denitrifying Gammaproteobacteria Implicated in Nitrogen Cycling Within the Ammonia/Oxygen Transition Zone of an Oil Sands Pit Lake
Anthropogenically-impacted environments offer the opportunity to discover novel microbial species and metabolisms, which may be undetectable in natural systems. Here, a combined metagenomic and geochemical study in Base Mine Lake, Alberta, Canada, which is the only oil sands end pit lake to date, revealed that nitrification was performed by members from Nitrosomonadaceae, Chloroflexi and unclassified Gammaproteobacteria "MBAE14." While Nitrosomonadaceae and Chloroflexi groups were relatively abundant in the upper oxygenated zones, MBAE14 dominated the hypoxic hypolimnetic zones (approximately 30% of total microbial communities); MBAE14 was not detected in the underlying anoxic tailings. Replication rate analyses indicate that MBAE14 grew in metalimnetic and hypolimnetic water cap regions, most actively at the metalimnetic, ammonia/oxygen transition zone consistent with it putatively conducting nitrification. Detailed genomic analyses of MBAE14 evidenced both ammonia oxidation and denitrification into dinitrogen capabilities. However, the absence of known CO 2 -fixation genes suggests a heterotrophic denitrifying metabolism. Functional marker genes of ammonia oxidation ( amo and hao ) in the MBAE14 genome are homologous with those conserved in autotrophic nitrifiers, but not with those of known heterotrophic nitrifiers. We propose that this novel MBAE14 inhabits the specific ammonia-rich, oxygen and labile organic matter-limited conditions occurring in Base Mine Lake which selectively favors mixotrophic coupled nitrifier denitrification metabolism. Our results highlight the opportunities to better constrain biogeochemical cycles from the application of metagenomics to engineered systems associated with extractive resource sectors.
Research study: Thermal curtain permeability and thermal response test for SRB reentry
Nine inch diameter samples of the material which will provide thermal and acoustic protection between the nozzle and outer skirt on the space shuttle solid rocket boosters were subjected to heating tests to determine the porosity of the material and the thermal response to a step change in heating. For the porosity measurements a steady state flow of air at 70 F, 500 F, and 1000 F was passed through a sample of the curtain material and measurements of the flow rates were made at different pressure drops across the sample. For the transient measurements, a sample of the curtain material was subjected to a step change in temperature as air was passed through the sample. Measurements of the heat flow through the sample were made as a function of time after the input of the heat pulse. The sample consisted of three layers of curtain panels. Each panel was made of combinations of quartz and fiberglass cloth between which a fiberfrax filler material had been stitched. The hardware design and test procedures were described. Data are provided in engineering units for the flow conditions and and temperatures at which measurements were conducted.
Experimental measurement of the orbital paths of particles sedimenting within a rotating viscous fluid as influenced by gravity
Measurements were taken of the path of a simulated typical tissue segment or 'particle' within a rotating fluid as a function of gravitational strength, fluid rotation rate, particle sedimentation rate, and particle initial position. Parameters were examined within the useful range for tissue culture in the NASA rotating wall culture vessels. The particle moves along a nearly circular path through the fluid (as observed from the rotating reference frame of the fluid) at the same speed as its linear terminal sedimentation speed for the external gravitational field. This gravitationally induced motion causes an increasing deviation of the particle from its original position within the fluid for a decreased rotational rate, for a more rapidly sedimenting particle, and for an increased gravitational strength. Under low gravity conditions (less than 0.1 G), the particle's motion through the fluid and its deviation from its original position become negligible. Under unit gravity conditions, large distortions (greater than 0.25 inch) occur even for particles of slow sedimentation rate (less than 1.0 cm/sec). The particle's motion is nearly independent of the particle's initial position. Comparison with mathematically predicted particle paths show that a significant error in the mathematically predicted path occurs for large particle deviations. This results from a geometric approximation and numerically accumulating error in the mathematical technique.
Particle Loading Tests on HEPA Flat Sheet Media at Sub-Ambient Pressures Using a Lunar Dust Simulant
When humans return to the moon under the NASA Artemis program, their activities on the lunar surface will inevitably lead to the intrusion of some level of lunar dust into the lander cabin. Therein the crew would be exposed to the potential hazards of lunar dust and the possibility of subsequent transfer into orbiting segments after docking. The spacecraft’s cabin filtration system will need to be effective at removing the airborne lunar dust to properly purify the breathable cabin air and minimize the spreading of the dust throughout the vehicle and orbital segments through the mission duration. The fine nature of the lunar dust will require high efficiency filtration, such as HEPA. A series of tests were performed in a specially designed recirculating sealed flow loop, for testing filter media and filter elements at the NASA Glenn Research Center. The flow loop was used to assess the performance and capacity of flat sheet filter media at representative cabin pressures using JSC-1AF lunar he filter media was measured as a function of accumulated particle mdust simulant and at high rates of particle loading. The pressure drop across tass load at ambient pressure and at two sub-ambient pressures, 0.0703MPa and 0.0565MPa, and at a media velocity that was scaled relative to its pleated configuration. The challenge particle flows were generated by a custom designed particle generator that introduces dispersed particles of the lunar simulant at high concentrations. An optical particle counting instrument provided filter efficiency measurements within the sealed environment. The pressure drop was found to increase linearly with the amount of dust load on the media, for all test conditions, while the starting pressure drop was found to be lower at the lowest sub-ambient pressure case. High filter efficiency was maintained after high particle loads on the media
Mechanism, thermochemistry, and kinetics of the reversible reactions: C 2 H 3 + H 2 ⇌ C 2 H 4 + H ⇌ C 2 H 5
High-level coupled cluster theory, in conjunction with Active Thermochemical Tables (ATcT) and E,J-resolved master equation calculations, was used in a study of the title reactions, which play an important role in the combustion of hydrocarbons. In the set of radical/radical reactions leading to soot formation in flames, the addition of H-atoms to alkenes is likely a common reaction, triggering the isomerization of complex hydrocarbons to aromatics. The heats of formation of C 2 H 3 , C 2 H 4 , and C 2 H 5 are established to be 301.26 ± 0.30 at 0 K (297.22 ± 0.30 at 298 K), 60.89 ± 0.11 (52.38 ± 0.11), and 131.38 ± 0.22 (120.63 ± 0.22) kJ mol -1 , respectively. The calculated rate constants from first principles agree well with experiments where they are available. Under conditions typical of high temperature combustion – where experimental work is very challenging with a consequent dearth of accurate data –here we provide high-level theoretical results for kinetic modeling.
Movement Models to Predict Low‐Altitude Flight of Soaring Birds Using Look‐Ahead Environmental Factors
Advances in fine-scale movement modeling of soaring birds can aid efforts to understand and resolve the impacts of anthropogenic activities on such birds. Soaring birds often rely on underlying terrain and low-altitude updrafts to govern their flights at rotor-swept altitudes (≤ 200 m above ground level), which puts them at risk of collision with wind turbines. We developed a data-driven Markov model at 1-s resolution that predicts the fine-scale flight behavior of golden eagles (Aquila chrysaetos) as a function of ecological covariates at the current location as well as those within an eagle's line of sight. We only considered ecological covariates that are readily available in real-time (ground elevation and wind conditions). Latent factors (age, sex, species, behavioral intent, migratory status) were intentionally left out of the model. We calibrated the model using golden eagle telemetry data collected in two different ecoregions of the United States. Given a starting location, the calibrated model simulates multiple stochastic 3D paths to produce a time-explicit and spatially explicit risk map of turbine collisions. We discovered an empirical relation between the rate of change of heading and the orographic updraft conditions within an eagle's line of sight. Our model performed most effectively when predicting predominantly-soaring flights at rotor-swept altitudes during wind conditions in which turbines are likely to be operational. The calibrated model could be used in concert with automated eagle detection and turbine curtailment technologies. Specifically, once an eagle is detected by those systems, our model could then provide accurate predictions of turbines the eagle is likely to interact with in the near term.
Stress-hybrid virtual element method on six-noded triangular meshes for compressible and nearly-incompressible linear elasticity
In this paper, we present a first-order Stress-Hybrid Virtual Element Method (SH-VEM) on six-noded triangular meshes for linear plane elasticity. Here, we adopt the Hellinger–Reissner variational principle to construct a weak equilibrium condition and a stress based projection operator. In each element, the stress projection operator is expressed in terms of the nodal displacements, which leads to a displacement based formulation. This stress-hybrid approach assumes a globally continuous displacement field while the stress field is discontinuous across each element. The stress field is initially represented by divergence-free tensor polynomials based on Airy stress functions, but we also present a formulation that uses a penalty term to enforce the element equilibrium conditions, referred to as the Penalty Stress-Hybrid Virtual Element Method (PSH-VEM). Numerical results are presented for PSH-VEM and SH-VEM, and we compare their convergence to the composite triangle FEM and B-bar VEM on benchmark problems in linear elasticity. The SH-VEM converges optimally in the L 2 norm of the displacement, energy seminorm, and the L 2 norm of hydrostatic stress. Furthermore, the results reveal that PSH-VEM converges in most cases at a faster rate than the expected optimal rate, but it requires the selection of a suitably chosen penalty parameter.
Mechanistic Probes of Zeolitic Imidazolate Framework for Photocatalytic Application
In this work, we report a zeolitic imidazolate framework (ZIF-67) with remarkable activity for hydrogen evolution reaction (HER) of 40,500 μmol H 2 /g MOF, which is, to the best of our knowledge, the highest activity achieved by any MOF system. This result necessitated assessment of its atomic-scale mechanistic function for HER using advanced spectroscopy techniques including time-resolved optical (OTA) and in situ X-ray absorption (XAS) spectroscopy. Through the correlation of OTA results with catalytic performance, we demonstrated that the electron transfer (ET) rather than energy transfer (ENT) pathway between photosensitizer and ZIF-67 is the key factor that controls the efficiency of HER activity, as HER activity that undergoes ET pathway is 3 orders of magnitude higher than that of ENT process. Here, using in situ XAS, we unraveled the spectral features for key intermediate species which are likely responsible for the rate determining process under turn over conditions. Finally, this work represents an original approach to study porous ZIF materials at the molecular level using advanced spectroscopic techniques, providing unprecedented insights into the photoactive nature of ZIF frameworks.
Revealing the Dynamics and Roles of Iron Incorporation in Nickel Hydroxide Water Oxidation Catalysts
We report the surface of an electrocatalyst undergoes dynamic chemical and structural transformations under electro-chemical operating conditions. There is a dynamic exchange of metal cations between the electrocatalyst and electrolyte. Understanding how iron in the electrolyte gets incorporated in the nickel hydroxide electrocatalyst is critical for pinpointing the roles of Fe during water oxidation. Here, we report that iron incorporation and oxygen evolution reaction (OER) are highly coupled, especially at high working potentials. The iron incorporation rate is much higher at OER potentials than that at the OER dormant state (low potentials). At OER potentials, iron incorporation favors electrochemically more reactive edge sites, as visualized by synchrotron X-ray fluorescence microscopy. Using X-ray absorption spectroscopy and density functional theory calculations, we show that Fe incorporation can suppress the oxidation of Ni and enhance the Ni reducibility, leading to improved OER catalytic activity. Our findings provide a holistic approach to understanding and tailoring Fe incorporation dynamics across the electrocatalyst-electrolyte interface, thus controlling catalytic processes.
Derivation of a Markov state model of the dynamics of a protein-like chain immersed in an implicit solvent
A Markov state model of the dynamics of a protein-like chain immersed in an implicit hard sphere solvent is derived from first principles for a system of monomers that interact via discontinuous potentials designed to account for local structure and bonding in a coarse-grained sense. The model is based on the assumption that the implicit solvent interacts on a fast time scale with the monomers of the chain compared to the time scale for structural rearrangements of the chain and provides sufficient friction so that the motion of monomers is governed by the Smoluchowski equation. A microscopic theory for the dynamics of the system is developed that reduces to a Markovian model of the kinetics under well-defined conditions. Microscopic expressions for the rate constants that appear in the Markov state model are analyzed and expressed in terms of a temperature-dependent linear combination of escape rates that themselves are independent of temperature. Excellent agreement is demonstrated between the theoretical predictions of the escape rates and those obtained through simulation of a stochastic model of the dynamics of bond formation. Finally, the Markov model is studied by analyzing the eigenvalues and eigenvectors of the matrix of transition rates, and the equilibration process for a simple helix-forming system from an ensemble of initially extended configurations to mainly folded configurations is investigated as a function of temperature for a number of different chain lengths. For short chains, the relaxation is primarily single-exponential and becomes independent of temperature in the low-temperature regime. The profile is more complicated for longer chains, where multi-exponential relaxation behavior is seen at intermediate temperatures followed by a low temperature regime in which the folding becomes rapid and single exponential. It is demonstrated that the behavior of the equilibration profile as the temperature is lowered can be understood in terms of the number of relaxation modes or “folding pathways” that contribute to the evolution of the state populations.
Application of MELCOR for Simulating Molten Salt Reactor Accident Source Terms
Molten Salt Reactor (MSR) systems can be divided into two basic categories: liquid-fueled MSRs in which the fuel is dissolved in the salt, and solid-fueled systems such as the Fluoride-salt-cooled High-temperature Reactor (FHR). The molten salt provides an impediment to fission product release as actinides and many fission products are soluble in molten salt. Nonetheless, under accident conditions, some radionuclides may escape the salt by vaporization and aerosol formation, which may lead to release into the environment. Here, we present recent enhancements to MELCOR to represent the transport of radionuclides in the salt and releases from the salt. Some soluble but volatile radionuclides may vaporize and subsequently condense to aerosol. Insoluble fission products can deposit on structures. Thermochimica, an open-source Gibbs Energy Minimization (GEM) code, has been integrated into MELCOR. With the appropriate thermochemical database, Thermochimica provides the solubility and vapor pressure of species as a function of temperature, pressure, and composition, which are needed to characterize the vaporization rate and the state of the salt with fission products. Since thermochemical databases are still under active development for molten salt systems, thermodynamic data for fission product solubility and vapor pressure may be user specified. This enables preliminary assessments of fission product transport in molten salt systems. In this paper, we discuss modeling of soluble and insoluble fission product releases in a MSR with Thermochimica incorporated into MELCOR. Separate-effects experiments performed as part of the Molten Salt Reactor Experiment in which radioactive aerosol was released are discussed as needed for determining the source term.
Effect of emitters on quantum state transfer in coupled cavity arrays
Over the last decade, conditions for perfect state transfer in quantum spin chains have been discovered and their experimental realizations addressed, as have their extensions to more complex geometries of coupled cavity-emitter arrays. In this paper we further consider such studies and situations in which quantum state transfer can occur with high fidelity, even when the cavity-cavity coupling rates and cavity-emitter interaction rates are comparable. This is accomplished through the development and use of a Monte Carlo approach to the inverse eigenvalue problem, which allows the determination of coupling rates which optimize quantum state transfer fidelity and subsequent time evolution of the polariton wave function through exact diagonalization of the resulting Jaynes-Cummings-Hubbard Hamiltonian. The effect of inhomogeneous emitter locations is also evaluated. Furthermore, our key results include the demonstration that our methodology can be used successfully to establish Hamiltonian parameters for high-fidelity state transfer in more general lattice geometries and excitation number sectors, and also a determination of the effects of fluctuations in those parameters about their optimal values.
WE-EF-303-05: Development and Commissioning of Real-Time Imaging Function for Respiratory-Gated Spot-Scanning Proton Beam Therapy
Purpose: To realize real-time-image gated proton beam therapy (RGPT) for treating mobile tumors. Methods: The rotating gantry of spot scanning proton beam therapy has been designed to equip two x-ray fluoroscopy devices that enable real-time imaging of the internal fiducial markers during respiration. Three-dimensional position of the fiducial marker located near the tumor can be calculated from the fluoroscopic images obtained from orthogonal directions and therapeutic beam is gated only when the fiducial marker is within the predefined gating window. Image acquisition rate can be selected from discrete value ranging from 0.1 Hz to 30 Hz. In order to confirm the effectiveness of RGPT and apply it clinically, clinical commissioning was conducted. Commissioning tests were categorized to main three parts including geometric accuracy, temporal accuracy and dosimetric evaluation. Results: Developed real-time imaging function has been installed and its basic performances have been confirmed. In the evaluation of geometric accuracy, coincidence of three-dimensional treatment room coordinate system and imaging coordinate system was confirmed to be less than 1 mm. Fiducial markers (gold sphere and coil) were able to be tracked in simulated clinical condition using an anthropomorphic chest phantom. In the evaluation of temporal accuracy, latency from image acquisition to gate on/off signal was about 60 msec in typical case. In dosimetric evaluation, treatment beam characteristics including beam irradiation position and dose output were stable in gated irradiation. Homogeneity indices to the mobile target were 0.99 (static), 0.89 (w/o gating, motion is parallel to direction of scan), 0.75 (w/o gating, perpendicular), 0.98 (w/ gating, parallel) and 0.93 (w/ gating, perpendicular). Dose homogeneity to the mobile target can be maintained in RGPT. Conclusion: Real-time imaging function utilizing x-ray fluoroscopy has been developed and commissioned successfully in order to realize RGPT. Funding Support: This research was partially supported by Japan Society for the Promotion of Science (JSPS) through the FIRST Program. Conflict of Interest: Prof. Shirato has research fund from Hitachi Ltd, Mitsubishi Heavy Industries Ltd and Shimadzu Corporation.
Violation of Local Electroneutrality in the Quantum Well of a Semiconductor Laser with Asymmetric Barrier Layers
A self-consistent model for calculating the threshold and high-power characteristics of semiconductor quantum well lasers with asymmetric barrier layers is developed. The model, which is based on a system of rate equations, uses the universal condition of global charge neutrality in the laser structure. The electron and hole concentrations in the waveguide region and in the quantum well (QW) and the concentration of photons of stimulated emission are calculated. The local neutrality in the QW is shown to be strongly violated, especially at high injection currents. The violation of neutrality in a QW makes the electron and hole concentrations there dependent on the injection current under lasing conditions: in the structures under consideration, the electron concentration in the QW decreases while the hole concentration increases with increasing injection current. In the case of the ideal functioning of asymmetric barrier layers, when electron–hole recombination in the waveguide region is completely suppressed, the violation of neutrality in the QW has almost no effect on the dependence of the output optical power on the injection current: the quantum efficiency is close to unity and the light–current characteristic is linear. Nevertheless, the violation of neutrality in the QW causes weakening of the temperature dependence of the threshold current and, hence, an increase in the characteristic temperature T{sub 0} of the laser.
Preliminary test results from the CELSS Test Facility Engineering Development Unit
As part of the NASA Controlled Ecological Life Support System (CELSS) Program, a CELSS Test Facility (CTF) is being planned for installation on the Space Station. The CTF will be used to provide data on the productivity and efficiency of a variety of CELSS higher plant crops grown in the microgravity environment of the Space Station. Tight environmental control will be maintained while data on gas exchange rates and biomass accumulation rates are collected. In order to obtain an early realistic determination of the subsystem and system requirements necessary to provide the environmental conditions specified for CTF crop productivity experiments, an Engineering Development Unit (EDU) has been designed, constructed and is in the process of subsystem and system testing at NASA Ames Research Center. The EDU is a ground test-bed which will be used to characterize the integrated performance of major subsystem technologies, to evaluate hardware candidates and control strategies required for the CTF, and to further define the ability to meet CTF requirements within present Space Station constraints. This paper reviews the functional requirements for the EDU, and focuses on the performance evaluation and test results of the various subsystems. Preliminary integrated performance results and control system operation are addressed, and plans for future science and technology testing are discussed.
Ground-Based Simulation of Low-Earth Orbit Plasma Conditions: Plasma Generation and Characterization
A 16-cm diameter plasma source operated on argon is described that is capable of producing a plasma environment that closely simulates the low Earth orbit (LEO) conditions experienced by satellites in the altitude range between 300 to 500 km. The plasma source uses a transverse-field magnetic filter, and has been successful in producing low electron temperature plasmas that contain streaming ion populations. Both of these characteristics are important because the plasma in LEO is relatively cold (e.g., Te approx. 0.1 eV) and the ram energy of the ions due to the motion of the satellite relative to the LEO plasma is high (e.g., 7,800 m/s which corresponds to approx. 5 eV for O+ ions). Plasma source operational conditions of flow rate and discharge power are presented that allow the electron temperature to be adjusted over a range from 0.14 to 0.4 eV. The expanding plasma flow field downstream of the source contains both low-energy, charge-exchange ions and streaming ions with energies that are adjustable over a range from 4 eV to 6 eV. At low flow rates and low facility pressures, the streaming ion component of the ion population comprises over 90% of the total plasma density. In the work described herein, a large area retarding potential analyzer was used to measure both electron and ion energy distribution functions in the low density, expanding plasma produced downstream of the plasma source. The benefits of using this type of plasma diagnostic tool in easily perturbed, low-density plasma are identified, and techniques are also discussed that can be used to perform real-time measurements of electron temperature. Finally, recommendations are made that may enable lower electron temperatures to be produced while simultaneously decreasing the plasma source flow rate below 1 to 2 sccm.