Results for “BOX MODELS” — Page 83

DOE OSTI2026

Data and code from: Selective oxidation of 3-hydroxypropionic acid to malonic acid over Pd/C: Mechanistic and kinetic study

Malonic acid (MA) is a high-value dicarboxylic acid with strong industrial demand, yet its current production heavily relies on petrochemical feedstocks. Here, we report the first systematic study for the sustainable production of MA via oxidation of 3-hydroxypropionic acid (3-HP) with a Pd/Carbon catalyst. The effects of oxidant type (O2 and H2O2), pH, and temperature on the reaction chemistry were comprehensively evaluated. Guided by experimental observation and DFT-calculated thermochemical energetics, reaction networks for 3-HP oxidation with both oxidants are proposed and validated through kinetic modeling. MA was identified as the primary oxidation product, while further oxidation yields acetic acid and oxalic acid. The kinetic model validated the network, displaying excellent agreement (R2 > 0.95). Kinetic observations also enabled a direct comparison between O2 and H2O2 and revealed their distinct behaviors. The model was further developed into a temperature-time map, providing insight into conditions that maximize MA production. Malonic acid selectivity of 56.9 % and yield of 50.5 % were achieved at 3 bar oxygen, equimolar NaOH:3-HP ratio, and 50 °C.

3-Hydroxypropionic Acid↗

NASA NTRS2003

Regulatory coding of lymphoid lineage choice by hematopoietic transcription factors

During lymphopoiesis, precursor cells negotiate a complex regulatory space, defined by the levels of several competing and cross-regulating transcription factors, before arriving at stable states of commitment to the B-, T- and NK-specific developmental programs. Recent perturbation experiments provide evidence that this space has three major axes, corresponding to the PU.1 versus GATA-1 balance, the intensity of Notch signaling through the CSL pathway, and the ratio of E-box transcription factors to their Id protein antagonists.

Non-NASA Center↗

DOE OSTI2019

Designing Critical Experiments Using Gaussian Process Optimization

New nuclear applications may lack similarity between the application and existing ICSBEP benchmarks. Without accurate benchmark data, predictive simulations will have high uncertainty in the estimate of a parameter of interest (such as k eff ). The design of critical experiments tuned for specific applications of interest is one solution to reducing uncertainty in the necessarily nuclear data. We propose an optimization technique to design critical experiments that match the cross-section sensitivities of an application model while minimizing the number of simulation runs in the optimization. The optimization of a critical experiment is slow because the potential design space covers many qualitative variables (types of material and geometries) and corresponding quantitative variables (e.g., material dimensions) and the evaluation of any specific design requires running an expensive code like MCNP1 and Whisper. The optimization of expensive black-box computer codes with quantitative variables has been extensively explored in the literature of design of computer experiments. We propose a modified version of standard Gaussian process (GP) optimization that optimizes over multiple discrete configurations of qualitative variables in parallel which reduces the computational cost of the entire optimization. The goal of this work is to minimize the number of MCNP evaluations while still exploring many different design configurations in parallel.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2013

Breakeven Prices for Photovoltaics on Supermarkets in the United States

The photovoltaic (PV) breakeven price is the PV system price at which the cost of PV-generated electricity equals the cost of electricity purchased from the grid. This point is also called 'grid parity' and can be expressed as dollars per watt ($\$$W) of installed PV system capacity. Achieving the PV breakeven price depends on many factors, including the solar resource, local electricity prices, customer load profile, PV incentives, and financing. In the United States, where these factors vary substantially across regions, breakeven prices vary substantially across regions as well. In this study, we estimate current and future breakeven prices for PV systems installed on supermarkets in the United States. We also evaluate key drivers of current and future commercial PV breakeven prices by region. The results suggest that breakeven prices for PV systems installed on supermarkets vary significantly across the United States. Non-technical factors -- including electricity rates, rate structures, incentives, and the availability of system financing -- drive break-even prices more than technical factors like solar resource or system orientation. In 2020 (where we assume higher electricity prices and lower PV incentives), under base-case assumptions, we estimate that about 17% of supermarkets will be in utility territories where breakeven conditions exist at a PV system price of $\$$3/W; this increases to 79% at $\$$1.25/W (the DOE SunShot Initiative's commercial PV price target for 2020). These percentages increase to 26% and 91%, respectively, when rate structures favorable to PV are used.

14 SOLAR ENERGY↗

NASA NTRS1990

Experimental Investigation of Porous-floor Effects on Cavity Flow Fields at Supersonic Speeds

An experimental investigation was conducted to determine the effectiveness of a passive-venting system to modify the flow field characteristics of a rectangular-box cavity at supersonic speeds. The passive-venting system consists of a porous floor with a vent chamber beneath the floor. For certain cavity length-to-height ratios, this configuration allowed high-pressure air at the rear of the cavity to vent to the forward part of the cavity, thereby modifying the cavity flow field. The wind-tunnel model consisted of a flat plate that housed a cavity mounted on a balance such that only the cavity drag was measured. The cavity height remained constant, and the length varied with rectangular-block inserts. Both solid-and porous-floor cavities were tested for comparison at Mach numbers of 1.60, 1.90, 2.16, and 2.86. These results showed that the passive-venting system did modify the cavity flow field. In order to determine the type flow field which existed for the porous-floor configuration, pressures were measured inside the cavity at the same conditions and for the same configurations as those used in the drag tests. Pressure data were also obtained with stores mounted in the cavity. These results, along with Schlieren photographs and the tabulated data, are presented to document the porous-floor cavity flow field.

Wilcox, Floyd J., Jr.↗

NASA NTRS2022

NDARC - NASA Design and Analysis of Rotorcraft: Input and Data Structures - Vol 2

The NDARC code performs design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance analysis, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. Figure 1-1 illustrates the tasks. The principal tasks (sizing, mission analysis, flight performance analysis) are shown in the figure as boxes with heavy borders. Heavy arrows show control of subordinate tasks. The aircraft description (figure 1-1) consists of all the information, input and derived, that defines the aircraft. The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. This information can be the result of the sizing task; can come entirely from input, for a fixed model; or can come from the sizing task in a previous case or previous job. The aircraft description information is available to all tasks and all solutions (indicated by light arrows). The sizing task determines the dimensions, power, and weight of a rotorcraft that can perform a specified set of design conditions and missions. The aircraft size is characterized by parameters such as design gross weight, weight empty, rotor radius, and engine power available. The relations between dimensions, power, and weight generally require an iterative solution. From the design flight conditions and missions, the task can determine the total engine power or the rotor radius (or both power and radius can be fixed), as well as the design gross weight, maximum takeoff weight, drive system torque limit, and fuel tank capacity. For each propulsion group, the engine power or the rotor radius can be sized. Missions are defined for the sizing task, and for the mission performance analysis. A mission consists of a number of mission segments, for which time, distance, and fuel burn are evaluated. For the sizing task, certain missions are designated to be used for design gross weight calculations; for transmission sizing; and for fuel tank sizing. The mission parameters include mission takeoff gross weight and useful load. For specified takeoff fuel weight with adjustable segments, the mission time or distance is adjusted so the fuel required for the mission (burned plus reserve) equals the takeoff fuel weight. The mission iteration is on fuel weight or energy. Flight conditions are specified for the sizing task, and for the flight performance analysis. For the sizing task, certain flight conditions are designated to be used for design gross weight calculations; for transmission sizing; for maximum takeoff weight calculations; and for antitorque or auxiliary thrust rotor sizing. The flight condition parameters include gross weight and useful load. For flight conditions and mission takeoff, the gross weight can be maximized, such that the power required equals the power available. A flight state is defined for each mission segment and each flight condition. The aircraft performance can be analyzed for the specified state, or a maximum effort performance can be identified. The maximum effort is specified in terms of a quantity such as best endurance or best range, and a variable such as speed, rate of climb, or altitude. The aircraft must be trimmed, by solving for the controls and motion that produce equilibrium in the specified flight state. Different trim solution definitions are required for various flight states. Evaluating the rotor hub forces may require solution of the blade flap equations of motion.

NDARC↗

NASA NTRS2022

NDARC - NASA Design and Analysis of Rotorcraft: Input - Vol 3

The NDARC code performs design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance analysis, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. Figure 1-1 illustrates the tasks. The principal tasks (sizing, mission analysis, flight performance analysis) are shown in the figure as boxes with heavy borders. Heavy arrows show control of subordinate tasks. The aircraft description (figure 1-1) consists of all the information, input and derived, that defines the aircraft. The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. This information can be the result of the sizing task; can come entirely from input, for a fixed model; or can come from the sizing task in a previous case or previous job. The aircraft description information is available to all tasks and all solutions (indicated by light arrows). The sizing task determines the dimensions, power, and weight of a rotorcraft that can perform a specified set of design conditions and missions. The aircraft size is characterized by parameters such as design gross weight, weight empty, rotor radius, and engine power available. The relations between dimensions, power, and weight generally require an iterative solution. From the design flight conditions and missions, the task can determine the total engine power or the rotor radius (or both power and radius can be fixed), as well as the design gross weight, maximum takeoff weight, drive system torque limit, and fuel tank capacity. For each propulsion group, the engine power or the rotor radius can be sized. Missions are defined for the sizing task, and for the mission performance analysis. A mission consists of a number of mission segments, for which time, distance, and fuel burn are evaluated. For the sizing task, certain missions are designated to be used for design gross weight calculations; for transmission sizing; and for fuel tank sizing. The mission parameters include mission takeoff gross weight and useful load. For specified takeoff fuel weight with adjustable segments, the mission time or distance is adjusted so the fuel required for the mission (burned plus reserve) equals the takeoff fuel weight. The mission iteration is on fuel weight or energy. Flight conditions are specified for the sizing task, and for the flight performance analysis. For the sizing task, certain flight conditions are designated to be used for design gross weight calculations; for transmission sizing; for maximum takeoff weight calculations; and for antitorque or auxiliary thrust rotor sizing. The flight condition parameters include gross weight and useful load. For flight conditions and mission takeoff, the gross weight can be maximized, such that the power required equals the power available. A flight state is defined for each mission segment and each flight condition. The aircraft performance can be analyzed for the specified state, or a maximum effort performance can be identified. The maximum effort is specified in terms of a quantity such as best endurance or best range, and a variable such as speed, rate of climb, or altitude. The aircraft must be trimmed, by solving for the controls and motion that produce equilibrium in the specified flight state. Different trim solution definitions are required for various flight states. Evaluating the rotor hub forces may require solution of the blade flap equations of motion.

NDARC↗

NASA NTRS2023

NDARC - NASA Design and Analysis of Rotorcraft: Input - Appendix 3

The NDARC code performs design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance analysis, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. Figure 1-1 illustrates the tasks. The principal tasks (sizing, mission analysis, flight performance analysis) are shown in the figure as boxes with heavy borders. Heavy arrows show control of subordinate tasks. The aircraft description (figure 1-1) consists of all the information, input and derived, that defines the aircraft. The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. This information can be the result of the sizing task; can come entirely from input, for a fixed model; or can come from the sizing task in a previous case or previous job. The aircraft description information is available to all tasks and all solutions (indicated by light arrows). The sizing task determines the dimensions, power, and weight of a rotorcraft that can perform a specified set of design conditions and missions. The aircraft size is characterized by parameters such as design gross weight, weight empty, rotor radius, and engine power available. The relations between dimensions, power, and weight generally require an iterative solution. From the design flight conditions and missions, the task can determine the total engine power or the rotor radius (or both power and radius can be fixed), as well as the design gross weight, maximum takeoff weight, drive system torque limit, and fuel tank capacity. For each propulsion group, the engine power or the rotor radius can be sized. Missions are defined for the sizing task, and for the mission performance analysis. A mission consists of a number of mission segments, for which time, distance, and fuel burn are evaluated. For the sizing task, certain missions are designated to be used for design gross weight calculations; for transmission sizing; and for fuel tank sizing. The mission parameters include mission takeoff gross weight and useful load. For specified takeoff fuel weight with adjustable segments, the mission time or distance is adjusted so the fuel required for the mission (burned plus reserve) equals the takeoff fuel weight. The mission iteration is on fuel weight or energy. Flight conditions are specified for the sizing task, and for the flight performance analysis. For the sizing task, certain flight conditions are designated to be used for design gross weight calculations; for transmission sizing; for maximum takeoff weight calculations; and for antitorque or auxiliary thrust rotor sizing. The flight condition parameters include gross weight and useful load. For flight conditions and mission takeoff, the gross weight can be maximized, such that the power required equals the power available. A flight state is defined for each mission segment and each flight condition. The aircraft performance can be analyzed for the specified state, or a maximum effort performance can be identified. The maximum effort is specified in terms of a quantity such as best endurance or best range, and a variable such as speed, rate of climb, or altitude. The aircraft must be trimmed, by solving for the controls and motion that produce equilibrium in the specified flight state. Different trim solution definitions are required for various flight states. Evaluating the rotor hub forces may require solution of the blade flap equations of motion.

NDARC↗

DOE OSTI2018

Greenland-Wide Seasonal Temperatures During the Last Deglaciation

The sensitivity of the Greenland ice sheet to climate forcing is of prime importance in assessing its contribution to past and future sea level rise. Surface mass loss occurs during summer, and accounting for temperature seasonality is critical in simulating ice sheet evolution and in interpreting glacial landforms and chronologies. Ice core records constrain the timing and magnitude of climate change but are largely limited to annual mean estimates from the ice sheet interior. In this work, we merge ice core reconstructions with transient climate model simulations to generate Greenland-wide and seasonally resolved surface air temperature fields during the last deglaciation. Greenland summer temperatures peak in the early Holocene, consistent with records of ice core melt layers. We perform deglacial Greenland ice sheet model simulations to demonstrate that accounting for realistic temperature seasonality decreases simulated glacial ice volume, expedites the deglacial margin retreat, mutes the impact of abrupt climate warming, and gives rise to a clear Holocene ice volume minimum.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1974

Considerations on the acoustic energy radiated by toothed gears

A mechano-acoustic model is reported for calculating acoustic energy radiated by a working gear. According to this model, a gear is an acoustic coublet formed of the two wheels. The wheel teeth generate cylindrical acoustic waves while the front surfaces of the teeth behave like vibrating pistons. Theoretical results are checked experimentally and good agreement is obtained with open gears. The experiments show that the air noise effect is negligible as compared with the structural noise transmitted to the gear box.

Popinceanu, N. G.↗

NASA NTRS2012

COMPASS Final Report: Lunar Relay Satellite (LRS)

The Lunar Relay Satellite (LRS) COllaborative Modeling and Parametric Assessment of Space Systems (COMPASS) session was tasked to design a satellite to orbit in an elliptical lunar polar orbit to provide relay communications between lunar South Pole assets and the Earth. The design included a complete master equipment list, power requirement list, configuration design, and brief risk assessment and cost analysis. The LRS is a half-TDRSS sized box spacecraft, which provides communications and navigation relay between lunar outposts (via Lunar Communications Terminals (LCT)) or Sortie parties (with user radios) and large ground antennas on Earth. The LRS consists of a spacecraft containing all the communications and avionics equipment designed by NASA Jet Propulsion Laboratory s (JPL) Team X to perform the relay between lunar-based assets and the Earth. The satellite design is a standard box truss spacecraft design with a thermal control system, 1.7 m solar arrays for 1 kWe power, a 1 m diameter Ka/S band dish which provides relay communications with the LCT, and a Q-band dish for communications to/from the Earth based assets. While JPL's Team X and Goddard Space Flight Center s (GSFC) I M Design Center (IMDC) have completed two other LRS designs, this NASA Glenn Research Center (GRC) COMPASS LRS design sits between them in terms of physical size and capabilities.

Oleson, Steven R.↗

DOE OSTI2014

Cosmological and astrophysical signatures of dark matter annihilations into pseudo-Goldstone bosons

We investigate a model where the dark matter particle is a chiral fermion field charged under a global U(1) symmetry which is assumed to be spontaneously broken, leading to a pseudo-Goldstone boson (PGB). We argue that the dark matter annihilation into PGBs determine the dark matter relic abundance. Besides, we also note that experimental searches for PGBs allow either for a very long lived PGB, with a lifetime much longer than the age of the Universe, or a relatively short lived PGB, with a lifetime shorter than one minute. Hence, two different scenarios arise, producing very different signatures. In the long lived PGB scenario, the PGB might contribute significantly to the radiation energy density of the Universe. On the other hand, in the short lived PGB scenario, and since the decay length is shorter than one parsec, the s-wave annihilation into a PGB and a CP even dark scalar in the Galactic center might lead to an intense box feature in the gamma-ray energy spectrum, provided the PGB decay branching ratio into two photons is sizable. We also analyze the constraints on these two scenarios from thermal production, the Higgs invisible decay width and direct dark matter searches.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

Evaluating CERES TOA Fluxes using ARISE aircraft observations

Uncertainty in observations of top-of-atmosphere (TOA) radiation fluxes are larger in the Arctic than in other regions. The magnitude of these uncertainties limit our understanding of the Arctic surface energy budget and its variability. The significant uncertainties are due to the low sun angles and wide range of highly reflecting, anisotropic, and highly heterogeneous surface conditions. Therefore, quantifying, attributing, and reducing Arctic TOA radiative flux uncertainty enables a better understanding of the rapidly changing Arctic. To advance this goal, we compare the Cloud and Earth’s Radiant Energy System (CERES) TOA radiative fluxes with measurements from the Arctic Radiation-IceBridge Sea and Ice Experiment (ARISE) flow in September 2014. A key objective of ARISE was to evaluate and attribute uncertainty in CERES footprint and gridded TOA radiative fluxes. In this study, we first compare the CERES TOA flux with those obtained from the broadband radiometer measurements from the aircraft using instantaneously matched footprint with the flight track and as the hourly gridded fluxes. This comparison indicates an agreement within uncertainty in the longwave (2 Wm-2 ) for all five grid boxes and agreement in the shortwave (10 Wm-2) for four-out-of-five grid boxes. While not a statistically significant results given the small sample size, the hourly, gridded and the instantaneously matched footprint comparison suggest a -10 Wm-2 bias for CERES in the shortwave. To explore whether this is a robust feature or a statistical artifact, we quantify the individual sources of uncertainty in the differences (temporal and spatial sampling differences, scene evolution, accuracy, angular distribution models, and scene id) to see if any of these differences account for the shortwave bias.

CERES↗

DOE OSTI2017

Challenges and Recent Developments of Neutron Non-Destructive Assay with UO{sub 2}F{sub 2}-Bearing Materials - 17336

In the enrichment process of an operating Gaseous Diffusion Plant (GDP), such as the Portsmouth and Paducah facilities, UF6 gas will immediately hydrolyze forming the chemical compound UO{sub 2}F{sub 2} (Uranyl Fluoride). This mostly happens in Alumina (Al{sub 2}O{sub 3}) traps where the UF6 adsorbs to moistened Alumina pellets forming a UO{sub 2}F{sub 2} layer around the pellet. Similarly, NaF.UF{sub 6} absorption traps produce the complex Na{sub 2}UF{sub 8} which also hydrolyzes when exposed to moist air. UO{sub 2}F{sub 2} can also be formed in many other processes where UF6 gas comes into contact with moisture within structures and objects such as pipes, converters compressors and coolers. When the structures are refurbished, or designated for D and D, UO{sub 2}F{sub 2}-bearing objects are generated both in situ and ex situ requiring fissile (U-235) characterization. In addition, ex situ waste streams are generated when UO{sub 2}F{sub 2}-bearing materials are placed in drummed or boxed waste containers. Gamma spectroscopy Non-Destructive Assay (NDA) is commonly utilized to characterize UO{sub 2}F{sub 2}-bearing waste but generally has high associated Total Measurement Uncertainties (TMU's) and, in some cases, Data Quality Objectives (DQO's) cannot be met. In addition, high UO{sub 2}F{sub 2} mass loadings, such as hold-up materials, require gamma modeling when infinitely thick to the Uranium energy lines. A common neutron NDA technique, or method, is to exploit the neutrons generated from the F-19(a, n)Na-22 reaction which has an appreciable reaction cross-section. The isotopes of Uranium are a-emitters, and, in particular, U-234 has a significantly higher a-decay reaction cross-section leading to a significant relative neutron Specific Activity (nSA). Neutron NDA is appealing since, in some cases, it has potentially lower TMU's than gamma NDA and neutron detector slabs facilitate surrounding large, complex-shaped, objects. Characterizing UO{sub 2}F{sub 2}-bearing waste for fissile content using neutrons generated from U-234, requires the U-235/U-234 ratio as well as the enrichment as well as the corresponding nSA's. It is also noted that U-238 has a considerable, relative, spontaneous fission nSA and this is a higher concern for low-enrichments where the mass of U-238 dominates. Additional neutron interfering elements include cosmic-ray induced spallation within the objects and background from other, in situ, UO{sub 2}F{sub 2}-bearing objects. In this paper we present the challenges and recently developed hardware and algorithmic strategies for quantifying fissile mass both in situ and ex situ using neutron NDA that works in conjunction to gamma spectroscopy NDA, or process knowledge, for objects and drummed/boxed waste containing UO{sub 2}F{sub 2}-bearing materials leading to minimal TMU's and achievable DQO's. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Enhanced shear stabilization of turbulence in NSTX

In studying a particular non-stationary NSTX L-mode plasma, we observed unexpectedly high levels of flux—first with quasilinear (TGLF) modeling and subsequently with nonlinear gyrokinetic simulations. Upon more detailed analysis, a novel confinement regime was discovered in which a modest increase in E x B shear (beyond baseline experimental estimates) rapidly reduced turbulent transport to levels consistent with power balance. This modest increase is plausible given the errors inherent to the estimation of shearing rates, and the added complexity of the non-stationary (time-dependent) power balance. Remarkably, an additional small increase in shear yields the familiar ion-neoclassical transport level with what appears to be the onset of high-k electron transport only. Although analyses using the TGLF-SAT2 model successfully capture numerous parametric dependencies of this plasma, TGLF does not reproduce the rapid E x B stabilization seen in CGYRO. We believe the results presented should help to better characterize the nonlinear physics of spherical tokamak confinement regimes, provide useful ST datasets for reduced model development, and motivate more accurate experimental diagnosis of E x B shearing rates.

Atomic and molecular collisions↗

DOE OSTI2012

BULK FLOW OF HALOS IN {Lambda}CDM SIMULATION

Analysis of the Pangu N-body simulation validates that the bulk flow of halos follows a Maxwellian distribution with variance that is consistent with the prediction of the linear theory of structure formation. We propose that the consistency between the observed bulk velocity and theories should be examined at the effective scale of the radius of a spherical top-hat window function yielding the same smoothed velocity variance in linear theory as the sample window function does. We compared some recently estimated bulk flows from observational samples with the prediction of the {Lambda}CDM model we used; some results deviate from expectation at a level of {approx}3{sigma}, but the discrepancy is not as severe as previously claimed. We show that bulk flow is only weakly correlated with the dipole of the internal mass distribution, that the alignment angle between the mass dipole and the bulk flow has a broad distribution peaked at {approx}30 Degree-Sign -50 Degree-Sign , and also that the bulk flow shows little dependence on the mass of the halos used in the estimation. In a simulation of box size 1 h {sup -1} Gpc, for a cell of radius 100 h {sup -1} Mpc the maximal bulk velocity is >500 km s{sup -1}; dipoles of the environmental mass outside the cell are not tightly aligned with the bulk flow, but are rather located randomly around it with separation angles {approx}20 Degree-Sign -40 Degree-Sign . In the fastest cell there is a slightly smaller number of low-mass halos; however, halos inside are clustered more strongly at scales {approx}> 20 h {sup -1} Mpc, which might be a significant feature since the correlation between bulk flow and halo clustering actually increases in significance beyond such scales.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Local ordering in disordered Nd x Zr 1-x O 2-0.5x pyrochlore as observed using neutron total scattering

Pyrochlore complex oxides (A 2 B 2 O 7 ) are an important class of fluorite-derivative ceramics with exceptional chemical and structural versatility which make them ideal model systems for studying disordering mechanisms over a range of spatial scales. Here, neutron total scattering methods were used to analyze the structural behavior in the non-stoichiometric series Nd x Zr 1-x O 2-0.5x (0.5 ≤ x ≤ 0.23) as a function of Nd content, x. Characterization of the structure functions using Rietveld refinement and the pair distribution functions with small-box refinement reveal complex disordering pathways; the average, long-range phase changes over a very narrow compositional range from pyrochlore ($Fd\bar{3}m$) to defect fluorite ($Fm\bar{3}m$) through full randomization of the cation and anion sublattices at x ~ 0.31, while the local, short-range structure continuously adopts a weberite-type atomic arrangement (C222 1 ). Comparison to a previously studied Ho 2 Ti 2-x Zr x O 7 solid solution series reveals how changes in chemical composition and stoichiometry modify defect formation and determine how disordering progresses across different length scales in pyrochlore oxides.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Design and development of a probe-based multiplexed multi-species absorption spectroscopy sensor for characterizing transient gas-parameter distributions in the intake systems of I.C. engines

We designed and developed a 4-probe multiplexed multi-species absorption spectroscopy sensor system for gas property measurements on the intake side of commercial multi-cylinder internal-combustion (I.C.) engines; the resulting cycle- and cylinder-resolved concentration, temperature and pressure measurements are applicable for assessing spatial and temporal variations in the recirculated exhaust gas (EGR) distribution at various locations along the intake gas path, which in turn is relevant to assessing cylinder charge uniformity, control strategies, and CFD models. Furthermore, the diagnostic is based on absorption spectroscopy and includes an H 2 O absorption system (utilizing a 1.39 m distributed feedback (DFB) diode laser) for measuring gas temperature, pressure, and H 2 O concentration, and a CO 2 absorption system (utilizing a 2.7 m DFB laser) for measuring CO 2 concentration. The various lasers, optical components and detectors were housed in an instrument box, and the 1.39- m and 2.7- m lasers were guided to and from the engine-mounted probes via optical fibers and hollow waveguides, respectively. The 5kHz measurement bandwidth allows for near-crank angle resolved measurements, with a resolution of 1.2 crank angle degrees at 1000 RPM. Our use of compact stainless steel measurement probes enables simultaneous multi-point measurements at various locations on the engine with minimal changes to the base engine hardware; in addition to resolving large-scale spatial variations via simultaneous multi-probe measurements, local spatial gradients can be resolved by translating individual probes. Along with details of various sensor design features and performance, we also demonstrate validation of the spectral parameters of the associated CO 2 absorption transitions using both a multi-pass heated cell and the sensor probes.

33 ADVANCED PROPULSION SYSTEMS↗