Results for “data compression” — Page 77

DOE OSTI2021

Oxidation and pyrolysis of methyl propyl ether

The ignition, oxidation, and pyrolysis chemistry of methyl propyl ether (MPE) was probed experimentally at several different conditions, and a comprehensive chemical kinetic model was constructed to help understand the observations, with many of the key parameters computed using quantum chemistry and transition state theory. Experiments were carried out in a shock tube measuring time variation of CO concentrations, in a flow tube measuring product concentrations, and in a rapid compression machine (RCM) measuring ignition delay times. The detailed reaction mechanism was constructed using the Reaction Mechanism Generator software. Sensitivity and flux analyses were used to identify key rate and thermochemical parameters, which were then computed using quantum chemistry to improve the mechanism. Validation of the final model against the 1-20 bar 600-1500 K experimental data is presented with a discussion of the kinetics. The model is in excellent agreement with most of the shock tube and RCM data. Strong non-monotonic variation in conversion and product distribution is observed in the flow-tube experiments as the temperature is increased, and unusually strong pressure dependence and significant heat release during the compression stroke is observed in the RCM experiments. These observations are largely explained by a close competition between radical decomposition and addition to O2 at different sites in MPE; this causes small shifts in conditions to lead to big shifts in the dominant reaction pathways. The validated mechanism was used to study the chemistry occurring during ignition in a diesel engine, simulated using Ignition Quality Test (IQT) conditions. At the IQT conditions, where the MPE concentration is higher, bimolecular reactions of peroxy radicals are much more important than in the RCM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Micro-CT analysis and mechanical properties of Ti spherical and polyhedral void composites made with saccharose as a space holder material

The paper describes the formation, morphology and mechanical properties of Ti void composites. The Ti void composites were made using 100 and 325 mesh Ti powder for solid scaffold formation. The spherical and polyhedral voids (pores) were formed using saccharose particles (table sugar) of different shapes. The Ti void composite morphology was investigated by microcomputed tomography and scanning electron microscopy. The Ti void composites of designed porosity of 50–70% were made. Compression test was applied for mechanical properties estimation. It has been found, that Ti void composites made from 100 mesh Ti and those having spherical pores have a higher strength and elastic modulus, i.e. for the designed porosity of 50% for 100 and 325 mesh Ti void composites, a compressive strength was 32.32 and 20.13 MPa, respectively. It has been shown that this is related to better sintering of the 100 mesh Ti powders compared with the 325 mesh Ti powders. A correlation between microcomputed tomography data and mechanical properties has also been shown. The Ti void composites, made with the use of saccharose as a space holder, described in this work should be a promising material for biomedical applications, where interconnected pores and good mechanical properties are required. - Highlights: • Ti scaffolds of the porosity of 50–70% were made. • Saccharose particles as space holder were applied. • The voids in the scaffolds were designed with spherical and polyhedral shape. • The scaffold structure was investigated by SEM and micro-CT. • Micro-CT data and mechanical properties of the Ti scaffold have been correlated.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation

This paper presents a multi-level crystal plasticity-based simulation framework for modeling mechanical response and microstructure evolution of Ti-6Al-4V with α-lath/lamellar microstructures. Here, the model is a correlated structure visco-plastic self-consistent (CS-VPSC) formulation linking three scales: a single crystals micro-scale, a lath/lamellar colony meso-scale, and a lath/lamellar aggregate macro-scale. A selected hardening law for the evolution of critical resolved shear stress per slip system used in CS-VPSC is phenomenological. However, it adjusts the resistances of basal and prismatic slip systems based on the geometry of slip transfer between adjacent lamellae. Consistent with experimental evidences, the resolved shear stress on the pyramidal slip planes is dependent not only on the stress in the direction of slip but also on the two orthogonal shear stress components and the three normal stress components (non-Schmid effects). Electron backscatter diffraction (EBSD) data in conjunction with a procedure relying on α→β phase transformation is used to construct paired variants of α-laths/lamellae satisfying their local crystallographic correlations. The procedure fits volume fractions of individual laths/lamellae with the experimental EBSD data and selects a distribution of habit planes between adjacent variants with respect to the loading direction. The simulation framework is applied to interpret the deformation behavior in tension and compression along two sample directions of Ti-6Al-4V fabricated via laser powder bed fusion. Moreover, the model is used to simulate texture evolution during rolling of the material to large strains. It is demonstrated that the model is capable of predicting plastic anisotropy/asymmetry and the concomitant texture evolution. While the model reveals a significant effect of habit plane inclination with respect to the loading direction on yield stress, the comparison of the data and model predictions shows that a random distribution of habit planes fits the flow response. It is further inferred that the tension-compression asymmetry arises from the non-Schmid effects.

36 MATERIALS SCIENCE↗

DOE OSTI2019

The laser shock station in the dynamic compression sector. I

The Laser Shock Station in the Dynamic Compression Sector [Advanced Photon Source (APS), Argonne National Laboratory] links a laser-driven shock compression platform with high energy x-ray pulses from the APS to achieve in-situ, time-resolved x-ray measurements (diffraction and imaging) in materials subjected to well-characterized, high stress, short duration planar shock waves. Additionally, the combination of this station and the other DCS experimental stations provides a unique and versatile experimental facility to study condensed state phenomena by undertaking real-time, multi-scale measurements in materials subjected to a wide range of shock amplitudes (to above ~350 GPa) and time-durations (~10 ns to 1 μs). The Laser Shock Station uses a 100 joule, 5-17 ns, 351 nm frequency tripled Nd:glass laser with programmable pulse shaping and focal profile smoothing for maximum precision. The laser is capable of a shot every 30 minutes. The interaction chamber contains multiple ports for simultaneous diagnostics, a sample holder that allows sequential exposure for 14 samples without breaking vacuum, the capability to vary the angle between the x-ray beam and laser beam by 135°, and the ability to translate to select one of two types of x-ray beams. X-ray data can be taken with a temporal resolution of ~90 psec. Highly reproducible, planar shocks can be propagated in samples to undertake precise and well-characterized experiments. In a series of ten shots, the absolute variation in the time the shock breaks out at the back of the sample is less than 500ps and the variation in peak particle velocity at the sample/window interface is 4.3%. Lastly, this paper describes the entire DCS Laser Shock Station, including sample fabrication and diagnostics, as well as representative experimental results from shock compressed tantalum to demonstrate the excellent quality of x-ray diffraction data in solid tantalum and to establish the stress for tantalum melting.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

National Ignition Campaign Data Analysis by an ICF Outsider

A simple DT burn model, with no alpha-particle warming feedback, using a combination of ICF inputs and the measured ion temperature, T, volume compression, C, ablator velocity, v, and burn width time, Δt, can reproduce the national-ignition campaign (NIC) fusion yields with a rms percent difference of ~40%. Analysis suggestion the fusion-yield reproducibility of NIC events with nominally identically measured T, C, v, and Δt is <30%. The highest fusion yields, at a fixed laser energy are obtained with depleted-uranium (DU) hohlraums and high-density carbon (HDC) ablators. Small diameter fit tubes (≤5 μm) enhance fusion yields by an average of 26±15% relative to 10-μm diameter fit tubes. A dependence of fusion yield on the diameter of the capsule relative to the diameter of the hohlraum is inferred for fixed T, C, v, and Δt. No evidence of conditions close to ignition, or alpha-particle warming is found in the existing NIC data with LEH< 2MJ. To obtain a predictive model for extrapolation proposes we map the T, C, and v into power laws as a function of LEH. The above mentioned extrapolatable model has a rms percent difference from the yields of the second half of the NIC of (56 ± 4)%. Higher (and significantly lower) DT temperatures are obtained with HDC ablators (and low-foot drives). The highest compressions are obtained via low-foot drives, but this does not compensate for the corresponding lower temperatures. An extrapolation of the presented model suggests significant alpha-particle heating at an LEH of ~5 MJ. It is hoped that others more familiar it the conditions needed for ignition will use to presented model to estimate the LEH required for ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Zero-Kelvin Compression Isotherms of the Elements 1 ≤ Z ≤ 92 to 100 GPa

Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). The tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Beyond alpha-heating: driving inertially confined fusion implosions toward a burning-plasma state on the National Ignition Facility

Recent progress on indirectly-driven inertial confinement fusion (ICF) work at the National Ignition Facility (NIF) is briefly reviewed. An analytic criteria for an ICF burning plasma is given and compared to recent ICF implosion data from the NIF. Scaling of key hot-spot performance metrics is derived from simple physics considerations, including some speculative impacts of asymmetry on the assembly and disassembly of an ICF implosion. A steepest descent solution for the nonlinear equation for hot-spot pressure at peak compression, with the full effects of alpha-heating, is also given. To test if the scalings derived in this paper have some merit, they are compared to data from a variety of recent implosion campaigns on NIF and good agreement is observed. Given the implications of the scalings and existing data, a strategy for injecting more energy into the hot-spot of NIF indirectly driven ICF implosions is defined and the principles of the strategy is discussed. The importance of implosion velocity, late-time ablation pressure, and implosion scale with good symmetry in obtaining the goal of ~50% more hot-spot energy are highlighted along with the limitations of trying to leverage low fuel-adiabat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

Cast Stone Formulation At Higher Sodium Concentrations

A low temperature waste form known as Cast Stone is being considered to provide supplemental Low Activity Waste (LAW) immobilization capacity for the Hanford site. Formulation of Cast Stone at high sodium concentrations is of interest since a significant reduction in the necessary volume of Cast Stone and subsequent disposal costs could be achieved if an acceptable waste form can be produced with a high sodium molarity salt solution combined with a high water to premix (or dry blend) ratio. The objectives of this study were to evaluate the factors involved with increasing the sodium concentration in Cast Stone, including production and performance properties and the retention and release of specific components of interest. Three factors were identified for the experimental matrix: the concentration of sodium in the simulated salt solution, the water to premix ratio, and the blast furnace slag portion of the premix. The salt solution simulants used in this study were formulated to represent the overall average waste composition. The cement, blast furnace slag, and fly ash were sourced from a supplier in the Hanford area in order to be representative. The test mixes were prepared in the laboratory and fresh properties were measured. Fresh density increased with increasing sodium molarity and with decreasing water to premix ratio, as expected given the individual densities of these components. Rheology measurements showed that all of the test mixes produced very fluid slurries. The fresh density and rheology data are of potential value in designing a future Cast Stone production facility. Standing water and density gradient testing showed that settling is not of particular concern for the high sodium compositions studied. Heat of hydration measurements may provide some insight into the reactions that occur within the test mixes, which may in turn be related to the properties and performance of the waste form. These measurements showed that increased sodium concentration in the salt solution reduced the time to peak heat flow, and reducing the amount of slag in the premix increased the time to peak heat flow. These observations may help to describe some of the cured properties of the samples, in particular the differences in compressive strength observed after 28 and 90 days of curing. Samples were cured for at least 28 days at ambient temperature in the laboratory prior to cured properties analyses. The low activity waste form for disposal at the Hanford Site is required to have a compressive strength of at least 500 psi. After 28 days of curing, several of the test mixes had mean compressive strengths that were below the 500 psi requirement. Higher sodium concentrations and higher water to premix ratios led to reduced compressive strength. Higher fly ash concentrations decreased the compressive strength after 28 days of curing. This may be explained in that the cementitious phases matured more quickly in the mixes with higher concentrations of slag, as evidenced by the data for the time to peak heat generation. All of the test mixes exhibited higher mean compressive strengths after 90 days of curing, with only one composition having a mean compressive strength of less than 500 psi. Leach indices were determined for the test mixes for contaminants of interest. The leaching performance of the mixes evaluated in this study was not particularly sensitive to the factors used in the experimental design. This may be beneficial in demonstrating that the performance of the waste form is robust with respect to changes in the mix composition. The results of this study demonstrate the potential to achieve significantly higher waste loadings in Cast Stone and other low temperature, cementitious waste forms. Additional work is needed to elucidate the hydration mechanisms occurring in Cast Stone formulated with highly concentrated salt solutions since these reactions are responsible for determining the performance of the cured waste form. The thermal analyses completed in this study provide some preliminary insight, although the limited range of the factors in the test matrix hindered the identification of individual component effects. Future work should involve broader factor ranges to identify the roles played by each of the components in the mix via thermal analyses, analytical microscopy, and characterization of phase formation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

Cast Stone Formulation At Higher Sodium Concentrations

A low temperature waste form known as Cast Stone is being considered to provide supplemental Low Activity Waste (LAW) immobilization capacity for the Hanford site. Formulation of Cast Stone at high sodium concentrations is of interest since a significant reduction in the necessary volume of Cast Stone and subsequent disposal costs could be achieved if an acceptable waste form can be produced with a high sodium molarity salt solution combined with a high water to premix (or dry blend) ratio. The objectives of this study were to evaluate the factors involved with increasing the sodium concentration in Cast Stone, including production and performance properties and the retention and release of specific components of interest. Three factors were identified for the experimental matrix: the concentration of sodium in the simulated salt solution, the water to premix ratio, and the blast furnace slag portion of the premix. The salt solution simulants used in this study were formulated to represent the overall average waste composition. The cement, blast furnace slag, and fly ash were sourced from a supplier in the Hanford area in order to be representative. The test mixes were prepared in the laboratory and fresh properties were measured. Fresh density increased with increasing sodium molarity and with decreasing water to premix ratio, as expected given the individual densities of these components. Rheology measurements showed that all of the test mixes produced very fluid slurries. The fresh density and rheology data are of potential value in designing a future Cast Stone production facility. Standing water and density gradient testing showed that settling is not of particular concern for the high sodium compositions studied. Heat of hydration measurements may provide some insight into the reactions that occur within the test mixes, which may in turn be related to the properties and performance of the waste form. These measurements showed that increased sodium concentration in the salt solution reduced the time to peak heat flow, and reducing the amount of slag in the premix increased the time to peak heat flow. These observations may help to describe some of the cured properties of the samples, in particular the differences in compressive strength observed after 28 and 90 days of curing. Samples were cured for at least 28 days at ambient temperature in the laboratory prior to cured properties analyses. The low activity waste form for disposal at the Hanford Site is required to have a compressive strength of at least 500 psi. After 28 days of curing, several of the test mixes had mean compressive strengths that were below the 500 psi requirement. Higher sodium concentrations and higher water to premix ratios led to reduced compressive strength. Higher fly ash concentrations decreased the compressive strength after 28 days of curing. This may be explained in that the cementitious phases matured more quickly in the mixes with higher concentrations of slag, as evidenced by the data for the time to peak heat generation. All of the test mixes exhibited higher mean compressive strengths after 90 days of curing, with only one composition having a mean compressive strength of less than 500 psi. Leach indices were determined for the test mixes for contaminants of interest. The leaching performance of the mixes evaluated in this study was not particularly sensitive to the factors used in the experimental design. This may be beneficial in demonstrating that the performance of the waste form is robust with respect to changes in the mix composition. The results of this study demonstrate the potential to achieve significantly higher waste loadings in Cast Stone and other low temperature, cementitious waste forms. Additional work is needed to elucidate the hydration mechanisms occurring in Cast Stone formulated with highly concentrated salt solutions since these reactions are responsible for determining the performance of the cured waste form. The thermal analyses completed in this study provide some preliminary insight, although the limited range of the factors in the test matrix hindered the identification of individual component effects. Future work should involve broader factor ranges to identify the roles played by each of the components in the mix via thermal analyses, analytical microscopy, and characterization of phase formation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Cast Stone Formulation At Higher Sodium Concentrations

A low temperature waste form known as Cast Stone is being considered to provide supplemental Low Activity Waste (LAW) immobilization capacity for the Hanford site. Formulation of Cast Stone at high sodium concentrations is of interest since a significant reduction in the necessary volume of Cast Stone and subsequent disposal costs could be achieved if an acceptable waste form can be produced with a high sodium molarity salt solution combined with a high water to premix (or dry blend) ratio. The objectives of this study were to evaluate the factors involved with increasing the sodium concentration in Cast Stone, including production and performance properties and the retention and release of specific components of interest. Three factors were identified for the experimental matrix: the concentration of sodium in the simulated salt solution, the water to premix ratio, and the blast furnace slag portion of the premix. The salt solution simulants used in this study were formulated to represent the overall average waste composition. The cement, blast furnace slag, and fly ash were sourced from a supplier in the Hanford area in order to be representative. The test mixes were prepared in the laboratory and fresh properties were measured. Fresh density increased with increasing sodium molarity and with decreasing water to premix ratio, as expected given the individual densities of these components. Rheology measurements showed that all of the test mixes produced very fluid slurries. The fresh density and rheology data are of potential value in designing a future Cast Stone production facility. Standing water and density gradient testing showed that settling is not of particular concern for the high sodium compositions studied. Heat of hydration measurements may provide some insight into the reactions that occur within the test mixes, which may in turn be related to the properties and performance of the waste form. These measurements showed that increased sodium concentration in the salt solution reduced the time to peak heat flow, and reducing the amount of slag in the premix increased the time to peak heat flow. These observations may help to describe some of the cured properties of the samples, in particular the differences in compressive strength observed after 28 and 90 days of curing. Samples were cured for at least 28 days at ambient temperature in the laboratory prior to cured properties analyses. The low activity waste form for disposal at the Hanford Site is required to have a compressive strength of at least 500 psi. After 28 days of curing, several of the test mixes had mean compressive strengths that were below the 500 psi requirement. Higher sodium concentrations and higher water to premix ratios led to reduced compressive strength. Higher fly ash concentrations decreased the compressive strength after 28 days of curing. This may be explained in that the cementitious phases matured more quickly in the mixes with higher concentrations of slag, as evidenced by the data for the time to peak heat generation. All of the test mixes exhibited higher mean compressive strengths after 90 days of curing, with only one composition having a mean compressive strength of less than 500 psi. Leachability indices were determined for the test mixes for contaminants of interest. The leaching performance of the mixes evaluated in this study was not particularly sensitive to the factors used in the experimental design. This may be beneficial in demonstrating that the performance of the waste form is robust with respect to changes in the mix composition. The results of this study demonstrate the potential to achieve significantly higher waste loadings in Cast Stone and other low temperature, cementitious waste forms. Additional work is needed to elucidate the hydration mechanisms occurring in Cast Stone formulated with highly concentrated salt solutions since these reactions are responsible for determining the performance of the cured waste form. The thermal analyses completed in this study provide some preliminary insight, although the limited range of the factors in the test matrix hindered the identification of individual component effects. Future work should involve broader factor ranges to identify the roles played by each of the components in the mix via thermal analyses, analytical microscopy, and characterization of phase formation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Microstructure and mechanical behavior of direct metal laser sintered Inconel alloy 718

In this paper, we investigate microstructure and quasi-static mechanical behavior of the direct metal laser sintered Inconel 718 superalloy as a function of build direction (BD). The printed material was further processed by annealing and double-aging, hot isostatic pressing (HIP), and machining. We characterize porosity fraction and distribution using micro X-ray computed tomography (μXCT), grain structure and crystallographic texture using electron backscattered diffraction (EBSD), and mechanical response in quasi-static tension and compression using standard mechanical testing at room temperature. Analysis of the μXCT imaging shows that majority of porosity develops in the outer layer of the printed material. However, porosity inside the material is also present. The EBSD measurements reveal formation of columnar grains, which favor < 001 > fiber texture components along the BD. These measurements also show evidence of coarse-grained microstructure present in the samples treated by HIP. Finally, analysis of grain boundaries reveal that HIP results in a large number of annealing twins compared to that in samples that underwent annealing and double-aging. The yield strength varies with the testing direction by approximately 7%, which is governed by a combination of grain morphology and crystallographic texture. In particular, we determine tension–compression asymmetry in the yield stress as well as anisotropy of the material flow during compression. We find that HIP lowers yield stress but improves ductility relative to the annealed and aged material. These results are discussed and critically compared with the data reported for wrought material in the same condition. - Highlights: • Microstructure and mechanical properties of DMLS Inconel 718 are studied in function of build direction. • Inhomogeneity of microstructure in the material in several conditions is quantified by μXCT and EBSD. • Anisotropy and asymmetry in the mechanical response are determined by tension and compression testing.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Spherical Platen versus Flat Platens in Compression Testing of PBX 9502

For ~15 years and perhaps longer, Pantex Plant has used a spherical platen in their compression load train when performing compression tests for Core Surveillance and HE Qualification. As our mechanical testing team at Los Alamos National Laboratory has always worked closely with our Pantex colleagues, and has maintained very similar practices in terms of calibration and testing, the author of this report has documented discussions with Pantex personnel (Robert Spence, et al.) dating back to ~2003, discussing the pros and cons of spherical platen use. LANL used spherical platens for a year or two, but determined issues and discontinued the practice. Based on multiple Engineering Evaluations (EE), LANL opportunities to watch Pantex procedures, it is our understanding that Pantex continued to use spherical platens from circa 2003 (or earlier) through summer 2019, despite the discontinued practice at LANL and the strong encouragement from LANL that spherical platens introduced error and should not be used. The short study reported here was intended to provide quantitative argument as to why spherical platens should not be used. As of a mechanical testing EE in August 2019, and after the testing of this LANL study was complete, LANL was informed by Pantex personnel that the practice of using spherical platens had recently been discontinued with no obvious problems or changes to the quality of the data. Although the urgency is gone for reporting our results, this is a brief quick summary of the data we collected.

42 ENGINEERING↗

DOE OSTI2018

Unconfined Compression Results on Core from Boreholes U-15n#12 and U-15n#13, NNSS in support of SPE

The Nevada National Security Site (NNSS) serves as the geologic setting for a Source Physics Experiment (SPE) program. The SPE provides ground truth data to create and improve strong ground motion and seismic S-wave generation and propagation models. The NNSS was chosen as the test bed because it provides a variety of geologic settings ranging from relatively simple to very complex. Each series of SPE testing will comprise the setting and firing of explosive charges (source) placed in a central borehole at varying depths and recording ground motions in instrumented boreholes located in two rings around the source, positioned at different radii. Modeling using advanced simulation codes will be performed both before and after each test to predict ground response and to improve models based on acquired field data, respectively. A key component in the predictive capability and ultimate validation of the models is the full understanding of the intervening geology between the source and the instrumented boreholes including the geomechanical behavior of the site's rock/structural features. This report summarizes unconfined compression testing (UCS) from coreholes U-15n#12 and U-15n#13 and compares those datasets to UCS results from coreholes U-15n and U-15n#10. U-15n#12 corehole was drilled at -60° to the horizontal and U-15n#13 was drilled vertically in granitic rock (quartz monzonite) after the third SPE shot. Figure 1 illustrates at the surface, U 15n#12 and U-15n#13 coreholes were approximately 30 meters and 10 meters from the central SPE borehole (U-15n) respectively. Corehole U-15n#12 intersects the central SPE borehole (U 15n) at a core depth of 174 feet (approximately 150 feet vertical depth). The location of U 15n#12 and U-15n#13 is the site of the first, second and third SPE's, in Area 15 of the NNSS.

58 GEOSCIENCES↗

DOE OSTI2023

Experimental measurements of soot formation in fuel-rich homogeneous mixtures using an optical rapid compression machine

Advanced combustion strategies are necessary for the use of more environmentally sustainable fuels than traditional diesel. Alcohol fuels and alcohol/gasoline blends are of particular interest as they are readily available in the marketplace. Heavy-duty engines typically use compression ignited, conventional diesel mixing controlled combustion. Mixing controlled combustion features a non-premixed diffusion flame with a wide range of local equivalence ratios, leading to potentially high rates of soot formation. This work studies the sooting behavior of iso-octane and ethanol as a function of equivalence ratio. Measurements are carried out in a rapid compression machine (RCM) and are reported for pre-ignition conditions of 10–30 bar and temperatures of 650–800 K. Theoretical equilibrium and bulk gas temperatures are calculated for both fuels. These data are used to identify the critical equivalence ratio, the lowest equivalence ratio where soot is detected with a single-pass laser extinction diagnostic. The critical equivalence ratio for iso-octane varies between 1.82 and 1.77 for compressed pressures of 10 and 20 bar, respectively. Ethanol, sometimes considered sootless, had a critical equivalence ratio between 2.37 and 2.12 for compressed pressures of 20 and 30 bar, respectively. When characterizing soot formation by oxygenated equivalence ratio, the critical equivalence ratios for ethanol approach those of iso-octane. This suggests the oxygenated nature of alcohol fuels reduces sooting tendency, but other factors such as fuel molecular structure and morphology may play a role. It was observed that ethanol will form soot at equivalence ratios only slightly higher than iso-octane, which could have implications in mixing controlled combustion. It was seen for both fuels that soot formation is pressure sensitive, with the critical equivalence ratio being inversely proportional to compressed pressure and the rate of soot formation. Future work will investigate the sooting behavior of gasoline/ethanol blends.

02 PETROLEUM↗

DOE OSTI2017

Smoothing-based compressed state Kalman filter for joint state-parameter estimation: Applications in reservoir characterization and CO 2 storage monitoring

The operation of most engineered hydrogeological systems relies on simulating physical processes using numerical models with uncertain parameters and initial conditions. Predictions by such uncertain models can be greatly improved by Kalman-filter techniques that sequentially assimilate monitoring data. Each assimilation constitutes a nonlinear optimization, which is solved by linearizing an objective function about the model prediction and applying a linear correction to this prediction. However, if model parameters and initial conditions are uncertain, the optimization problem becomes strongly nonlinear and a linear correction may yield unphysical results. In this paper, we investigate the utility of one-step ahead smoothing, a variant of the traditional filtering process, to eliminate nonphysical results and reduce estimation artifacts caused by nonlinearities. Here, we present the smoothing-based compressed state Kalman filter (sCSKF), an algorithm that combines one step ahead smoothing, in which current observations are used to correct the state and parameters one step back in time, with a nonensemble covariance compression scheme, that reduces the computational cost by efficiently exploring the high-dimensional state and parameter space. Numerical experiments show that when model parameters are uncertain and the states exhibit hyperbolic behavior with sharp fronts, as in CO 2 storage applications, one-step ahead smoothing reduces overshooting errors and, by design, gives physically consistent state and parameter estimates. We compared sCSKF with commonly used data assimilation methods and showed that for the same computational cost, combining one step ahead smoothing and nonensemble compression is advantageous for real-time characterization and monitoring of large-scale hydrogeological systems with sharp moving fronts.

42 ENGINEERING↗

DOE OSTI2019

X-ray diffraction of dynamically compressed matter on Sandia's Z Pulsed Power Facility

Sandia's Z Pulsed Power Facility is able to dynamically compress matter to extreme states with exceptional uniformity, duration, and size, which are ideal for investigations of fundamental material properties of high energy density conditions. X-ray diffraction (XRD) is a key atomic scale probe since it provides direct observation of the compression and strain of the crystal lattice, and is used to detect, identify, and quantify phase transitions. Because of the destructive nature of Z-Dynamic Materials Properties (DMP) experiments and low signal vs background emission levels of XRD, it is very challenging to detect the XRD pattern close to the Z-DMP load and to recover the data. We developed a new Spherical Crystal Diffraction Imager (SCDI) diagnostic to relay and image the diffracted x-ray pattern away from the load debris field. The SCDI diagnostic utilizes the Z-Beamlet laser to generate 6.2-keV Mn-He c , x-rays to probe a shock-compressed sample on the Z-DMP load. A spherically bent crystal composed of highly oriented pyrolytic graphite is used to collect and focus the diffracted x-rays into a 1-inch thick tungsten housing, where an image plate is used to record the data. We performed experiments to implement the SCDI diagnostic on Z to measure the XRD pattern of shock compressed beryllium samples at pressures of 1.8-2.2 Mbar.

36 MATERIALS SCIENCE↗

DOE OSTI2015

The 9975 Type B shipping package is used within the DOE complex for shipping special nuclear materials. This package is re-certified annually in accordance with Safety Analysis Report for Packaging (SARP) requirements. The package is also used at the Savannah River Site as part of the long-term storage configuration of special nuclear materials. As such, the packages do not undergo annual recertification during storage, with uncertainty as to how long some of the package components will meet their functional requirements in the storage environment. The packages are currently approved for up to 15 years storage, and work continues to provide a technical basis to extend that period. This report describes efforts by the Savannah River National Laboratory (SRNL) to extend the service life estimate of Viton® GLT and GLT-S fluoroelastomer O-rings used in the 9975 shipping package. O-rings of both GLT and GLT-S compositions are undergoing accelerated aging at elevated temperature, and are periodically tested for compression stress relaxation (CSR) behavior. The CSR behavior of O-rings was evaluated at temperatures from 175 to 400 °F. These collective data were used to develop predictive models for extrapolation of CSR behavior to relevant service temperatures (< 156 °F). The predictive model developed from the CSR data conservatively indicates a service life of approximately 37 years for Viton GLT O-rings at the maximum effective service temperature of 156 °F. The estimated service life for Viton GLT-S O-rings is significantly longer.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Search for higgsinos in compressed mass spectra using low-momentum tracks in pp collisions at s=13 TeV with the ATLAS detector

This paper presents two searches for the electroweak production of higgsinos with compressed mass spectra using 140 fb−1 of s=13$$ \sqrt{s}=13 $$ TeV proton-proton collision data collected by the ATLAS experiment at the Large Hadron Collider. Events are required to feature an energetic jet, large missing transverse momentum, and at least one low-momentum charged particle that serves as a candidate higgsino decay product. In the first search, targeting higgsino mass splittings in the range of 0.3–1 GeV, the higgsinos are expected to predominantly decay into pions that are identified as low-momentum charged particles with large transverse impact parameters due to the long higgsino lifetime (cτ ≈ ?(0.1–10 mm)), and neural networks are used to discriminate between signal and background processes. The second search targets larger mass splittings in the range of 1–3 GeV, where the higgsinos are expected to decay promptly into low-momentum leptons, one of which is identified by dedicated low-momentum electron or muon taggers based on neural networks utilising tracking and calorimeter information. No significant excess above the Standard Model prediction is observed in either search and the results are interpreted within simplified models, to set lower limits on the masses of the higgsino-like charginos and neutralinos. Together, these searches exclude chargino masses below 126 GeV at 95% confidence level for mass splittings between the chargino and lightest neutralino in the range of 0.3–2 GeV. This represents the first ATLAS constraints in a portion of this parameter space and surpasses the limits previously set by other experiments.

Aad, G↗