Multidimensional, experimental and modeling evaluation of permeability evolution, the Caney Shale Field Lab, OK, USA
Multidimensional, experimental and modeling evaluation of permeability evolution, the Caney Shale Field Lab, OK, USA
Katende, A.↗
SEARCH · Engineering Papers
Results for “temperature heterogeneity”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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The Heterogeneous Chemistry of Acetone in Sulfuric Acid Solutions: Implications for the Upper Troposphere
The uptake of acetone vapor by liquid sulfuric acid has been investigated over the range of 40-87 wt. %H(sub 2)SO(sub 4) and between the temperatures 198 to 300K.
Heterogenous Chemistry Acetone Sulfuric Acid↗
Dynamic heterogeneity and nanophase separation in rubber-toughened amine-cured highly cross-linked polymer networks
Solid state nuclear magnetic resonance (NMR) spectroscopy and small-to wide-angle X-ray scattering (SWAXS) methods were used to characterize the heterogeneous dynamics and polymer domain structure in rubber modified thermoset materials containing the diglycidyl ether of bisphenol A (DGEBA) epoxy resin and a mixture of Jeffamine reactive rubber and 4,4-diaminodicyclohexylmethane (PACM) amine curing agent. The polymer chain dynamics and morphologies as a function of the PACM/Jeffamine ratio were determined. Using dipolar-filtered NMR experiments, the resulting networks are shown to be composed of mobile and rigid regions that are separated on nanometer length scales, along with a dynamically immobilized interface region. Proton NMR spin diffusion experiments measured the dimensions of the mobile phase to range between 9 and 66 nm and varied with the relative PACM concentration. Solid state 13 C magic angle spinning NMR experiments show that the highly mobile phase is composed entirely of the dynamically flexible polyether chains of the Jeffamine rubber, the immobilized interface region is a mixture of DGEBA, PACM, and the Jeffamine rubber, with the PACM cross-linked to DGEBA predominantly residing in the rigid phase. The SWAXS results showed compositional nanophase separation spanning the 11–77 nm range. These measurements of the nanoscale compositional and dynamic heterogeneity provide molecular level insight into the very broad and controllable glass transition temperature distributions observed for these highly cross-linked polymer networks.
36 MATERIALS SCIENCE↗
A Hybrid Structural Method for Investigating Low Molecular Weight Oligomeric Structures of Amyloid Beta
Spurred in part by the failure of recent therapeutics targeting amyloid β plaques in Alzheimer's Disease (AD), attention is increasingly turning to the oligomeric forms of this peptide that form early in the aggregation process. However, while numerous amyloid β fibril structures have been characterized, primarily by NMR spectroscopy and cryo-EM, obtaining structural information on the low molecular weight forms of amyloid β that presumably precede and/or seed fibril formation has proved challenging. Furthermore, these transient forms are heterogeneous, and depend heavily on experimental conditions such as buffer, temperature, concentration, and degree of quiescence during measurement. Here, we present the concept for a new approach to delineating structural features of early-stage low molecular weight amyloid β oligomers, using a solvent accessibility assay in conjunction with simultaneous fluorescence measurements.
60 APPLIED LIFE SCIENCES↗
Analysis of radially resolved thermal conductivity in high burnup mixed oxide fuel and comparison to thermal conductivity correlations implemented in fuel performance codes
The thermal diffusivity and thermal conductivity of high burnup (19 % FIMA) mixed oxide (U, Pu)O 2 nuclear fuel has been measured along the radial direction using a thermoreflectance-based method. Measured thermal conductivity exhibits a notable radial variation consistent with the expectations that a large temperature gradient across the annular fuel pellet leads to a heterogeneous microstructure. A common fuel performance model of thermal conductivity, the Lucuta-Inoue model, is used to analyze the measured thermal conductivity profile. Further, this model adequately captures the radial dependence of thermal conductivity except in the periphery. The analysis suggests that the characteristic radial shape of the thermal conductivity profile follows the burnup profile within the fuel pin. In the periphery, the high burnup structure is formed and the conductivity model, not capturing this effect, likely overestimates the thermal conductivity.
36 MATERIALS SCIENCE↗
Detailed chemistry modeling of rotating detonations with dilute n -heptane sprays and preheated air
Utilization of liquid fuels is crucial to enabling commercialization of rotating detonation engines (RDE) in the near future. In this study, Eulerian-Lagrangian simulations are conducted for rotating detonative combustion with dilute n-heptane sprays and preheated air. Two-dimensional flattened configuration is used and a skeletal chemical mechanism with 44 species and 112 elementary reactions for n-heptane combustion is adopted. The flow structure, droplet distribution, and thermochemical parameters in the refill zone are first analyzed. It is shown that the mixture in the refill zone is heterogeneous, including evaporating droplets, vapor, and air. When the total temperature is below 950 K, the average equivalence ratio increases with the total temperature. When it is higher than 950 K, the average equivalence ratio is almost constant. Subsequently, the chemical explosive mode analysis is applied to identify the controlling reactions and dominant combustion modes in the fuel refill zone and reaction fronts. Results demonstrate that the initiation reaction (R104: n-C 7 H 16 + O 2 2-C 7 H 15 + HO 2 ) and low-temperature reaction (R107: RO 2 R'O 2 H) are dominant in the upstream and downstream of the refill zone, respectively. The intermediate species from low-temperature chemistry, R'O 2 H, is found to be important for the chemical explosive mode in the undetonated mixture. The influence of species diffusion and dispersed droplets is further analyzed. Results show that vapor autoignition facilitated by droplet evaporation occurs in the refill zone. Finally, the effects of the air total temperature on the detonation propagation speed and RDE propulsion performance are investigated. Further, it is found that the detonation propagation speed and specific impulse increase with air total temperature. The total pressure ratio first increases and then decreases as the air total temperature increases. Moreover, when the total temperature of the preheated air is above 1,300 K, the effects of low-temperature chemistry are negligible.
33 ADVANCED PROPULSION SYSTEMS↗
A molecular dynamics study of laser-excited gold
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of the melting process, leading to large discrepancies between the predicted threshold energy density for complete melting, as well as the transition between heterogeneous and homogeneous melting. We make use of two-temperature classical molecular dynamics simulations utilizing three highly successful interatomic potentials and reproduce electron diffraction data presented by Mo et al. [Science 360, 1451–1455 (2018)]. We recreate the experimental electron diffraction data, employing both a constant and temperature-dependent electron–ion equilibration rate. In all cases, we are able to match time-resolved electron diffraction data, and find consistency between atomistic simulations and experiments, only by allowing laser energy to be transported away from the interaction region. This additional energy-loss pathway, which scales strongly with laser fluence, we attribute to hot electrons leaving the target on a timescale commensurate with melting.
36 MATERIALS SCIENCE↗
Heterogeneous physicochemistry of the polar ozone hole
Processes occurring in the polar winter stratosphere, which involve polar stratospheric clouds (PSCs), are investigated using observations from the Airborne Antarctic Ozone Experiment. In particular, data on the properties of PSCs and their physical chemistry, the microphysical processes and time constants for cloud processes, the heterogeneous chemical processes and their time constants, and nonlinearities in the long-term ozone trend associated with physical and chemical processes are examined. The chemical reactions leading to the depletion of the inert chlorine reservoir in a presence of type I PSCs are established, and it is shown that type II PSCs contribute to chemical processing that sustains the chemical imbalance of the polar stratosphere. It is shown that, using a simple model, the decadal evolution of the Antarctic ozone hole may be understood through nonlinearities in the heterogeneous chemistry, with possible contributing effects of variations in stratospheric temperatures and water vapor concentrations.
Turco, Richard P.↗
Formation conditions of pyroxene-olivine and magnesian olivine chondrules
Dynamic crystallization experiments performed on a Type I and an intermediate Type II/III composition demonstrate chondrule texture is controlled by the abundance of heterogeneous nuclei. This factor is controlled by the maximum initial temperature relative to the olivine disappearance temperature for the given heating time. Glassy and excentroradial textures form from superheated melts with no nuclei, and barred textures form with initial temperatures near the olivine disappearance temperature. Porphyritic and granular textures form with initial temperatures below the liquidus with abundant nuclei. Comparison of zoning characteristics of experimental olivines with those in natural porphyritic olivine chondrules indicates cooling rates of 100 to 1000 C/h, whereas olivine morphology indicates barred olivines cooled at rates of 250 to 1000 C/h. Texture/composition relationships suggest chondrules experienced initial temperatures below 1750 C. These observations are consistent with the idea that chondrules formed by transient heating in dust-rich regions (i.e., in the midplane) of the solar nebula.
Radomsky, Patrick M.↗
Temperature conditions for chondrule formation
An attempt is made to constrain the chondrule-forming process from dynamic crystallization experiments on chondrule analogs and from correlations between texture and bulk composition in natural chondrules. Liquidus temperatures for chondrules from unequilibrated chondrites are calculated using Herzberg's (1979) method. The paper then infers whether each chondrule formed above, at, or below its liquidus based on textures produced in experiments. A range of temperatures to which chondrules may have been initially heated is then derived from the texture-composition-temperature relationships. Finally, the role of dust seeding, or external heterogeneous nucleation, in producing chondrule textures is examined.
Hewins, Roger H.↗
Ignition and combustion of lunar propellants
The ignition and combustion of Al, Mg, and Al/Mg alloy particles in 99 percent O2/1 percent N2 mixtures is investigated at high temperatures and pressures for rocket engine applications. The 20 micron particles contain 0, 5, 10, 20, 40, 60, 80, and 100 weight percent Mg alloyed with Al, and are ignited in oxygen using the reflected shock in a shock tube near the endwall. Using this technique, the ignition delay and combustion times of the particles are measured at temperatures up to 3250 K as a function of Mg content for oxygen pressures of 8.5, 17, and 34 atm. An ignition model is developed which employs a simple lumped capacitance energy equation and temperature and pressure dependent particle and gas properties. Good agreement is achieved between the measured and predicted trends in the ignition delay times. For the particles investigated, the contribution of heterogeneous reaction to the heating of the particle is found to be significant at lower temperatures, but may be neglected as gas temperatures above 3000 K. As little as 10 percent Mg reduces the ignition delay time substantially at all pressures tested. The particle ignition delay times decrease with increasing Mg content, and this reduction becomes less pronounced as oxidizer temperature and pressure are increased.
Burton, Rodney L.↗
Muon hyperfine fields in iron and its dilute alloys
The temperature dependence of the interstitial magnetic field, B, as determined by the rotation of the spin of the muon, has been measured for dilute polycrystalline iron alloys with Mo, Ti, and Nb additions over a temperature range of 240 to 633 K. In all cases the behaviors differ from one another and from the Fe(Al) alloys previously studied. B, which is negative with respect to the magnetization, is increased in magnitude by Al and Mo, and decreased greatly by Ti. The addition of Nb creates a two-phase alloy from which the role of heterogeneity and/or strain on B in iron can be assessed. If the temperature dependence of the hyperfine field extracted from B for Fe(Mo) alloys is interpreted on the model previously used to discuss the Fe(Al) data, then the muon must be attracted to the Mo atom while repelled by the Al atoms as the temperature decreases.
Stronach, C. E.↗
Heterogeneous-nucleation and glass-formation studies of 56Ga2O3-44CaO
Glass formation and heterogeneous crystallization are described for the reluctant-glass-forming 56Ga2O3-44CaO eutectic composition. The times and temperatures for nucleation at various cooling rates and experimental conditions were measured and empirical continuous-cooling-crystallization boundaries were constructed for various heterogeneous nucleation processes. A definition for an empirical critical cooling rate to form a glass from reluctant borderline glass formers is proposed, i.e., the cooling rate that results in glass formation in 95 percent of the quenching experiments.
Ethridge, Edwin C.↗
Binder-jetted AISI M2 tool steel during hot isostatic pressing: Densification and carbide transformation
Binder jetting (BJ) enables fabrication of complex components from high-alloy steels such as AISI M2; however, residual porosity after sintering limits mechanical performance. This study investigates the coupled effects of binder chemistry, sintering conditions, cooling rate, and subsequent hot isostatic pressing (HIP) on densification, microstructure, and mechanical response in binder-jetted M2 tool steel. HIP increased relative density from ∼93 to 95% to >99% and improved compressive strength by ∼40-70%. Densification was governed by initial pore morphology, where closed porosity was effectively eliminated, while interconnected porosity limited full consolidation. Microstructural analysis (XRD, EBSD, SEM) shows that HIP promotes dissolution of metastable carbides and redistribution of alloying elements (W, Mo, V), transforming heterogeneous carbide networks into finer and more uniformly distributed M 2 C, MC, and M 6 C phases through diffusion-assisted homogenization. Among the investigated conditions, the FluidFuse binder combined with sintering at 1270 °C for 60 min and furnace cooling produced the most balanced response, achieving ∼99.7% density, ∼855 HV hardness, ∼4130 MPa compressive strength, and ∼24% strain. In contrast, higher sintering temperatures promoted carbide coarsening, reducing ductility despite high density. HIP reduces microstructural heterogeneity and drives the system toward a near-equilibrium state with reduced sensitivity to prior processing history. A comparative assessment with conventional and additive manufacturing routes (LPBF, DED, EBM, FFF) shows that the BJ-HIP approach achieves competitive densification and mechanical performance. These findings provide a mechanistic basis for controlling densification and microstructure in high-alloy steels processed via BJAM.
AISI M2 tool steel↗
Cell Dancoff-based embedded self-shielding capability for doubly heterogeneous particulate fuels in SCALE/Polaris
Polaris is a two-dimensional (2D) transport lattice physics capability in the SCALE code system for light-water reactor (LWR) analysis. SCALE/Polaris is being extended to treat doubly heterogeneous particulate fuels in LWRs with accident-tolerant fuels and prismatic high-temperature gas-cooled reactor (HTGR) fuel. Recently, a Dancoff-based Wigner-Seitz approximation capability based on the embedded self-shielding method (DWA-ESSM) was implemented into Polaris for efficient computation. A new double heterogeneity treatment capability based on DWA-ESSM in conjunction with the Hebert's collision probability method for double heterogeneity was developed and implemented for Polaris. The new capability was verified by performing benchmark calculations for the prismatic HTGR fuel compact problems with various design parameters through a code-to-code comparison between the Polaris and continuous-energy Monte Carlo results. (authors)
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Pyrolysis temperature and soil depth interactions determine PyC turnover and induced soil organic carbon priming
Pyrogenic organic carbon (PyC) is a complex, heterogeneous class of thermally altered organic substrates, but its dynamics and how its behavior changes with soil depth remain poorly understood. We conducted a laboratory incubation study to investigate the interactive effects of pyrolysis temperature and soil depth on the turnover of PyC compared to its precursor wood and native SOC (NSOC). We incubated dual-labeled (13C and 15N) jack pine pyrogenic organic matter produced at 300 °C (PyC300), 450 °C (PyC450), and their precursor pine wood in a fine-loamy, mixed-conifer forest soil for 745 days. A mixture of surface (0–10 cm) and subsurface (50–70 cm) forest soils, with and without labeled biomass were incubated in the dark at 55% soil water field capacity and 25 °C. Total 13C from PyC and wood mineralized as 13C-CO2 (as % of C added to soil) declined with an increase in pyrolysis temperature as follows: 54 ± 7.7% for wood, 3.1 ± 0.2% for PyC300, and 0.94 ± 0.08% for PyC450. Furthermore, after 2 years, soil depth interacted with pyrolysis temperature to affect C turnover, with total wood C losses significantly declining from 70.6% in surface soils to 37.5% in subsurface soil, while total losses of PyC300 and PyC450 were unaffected by differences between surface and subsurface soils. Wood induced negative priming (i.e., decreased mineralization rates) in surface soil at days 3 and 60, while PyC300 induced positive priming (i.e., increased mineralization rates) in subsurface soil at day 60. After 2 years, unlabeled NSOC losses increased from 9.2 ± 0.8% of NSOC in unamended treatments to 16.5 ± = 2.6% of NSOC with PyC450 additions. Our results suggest that PyC pyrolyzed at a given temperature can mineralize at similar rates between soil depths, and high amounts of PyC450 in subsurface soils can stimulate NSOC losses. These findings indicate that soil depth imposes critical controls on PyC dynamics belowground.
13C-labeling↗
Dislocation interactions in olivine control postseismic creep of the upper mantle
Changes in stress applied to mantle rocks, such as those imposed by earthquakes, commonly induce a period of transient creep, which is often modelled based on stress transfer among slip systems due to grain interactions. However, recent experiments have demonstrated that the accumulation of stresses among dislocations is the dominant cause of strain hardening in olivine at temperatures ≤600 °C, raising the question of whether the same process contributes to transient creep at higher temperatures. Here, we demonstrate that olivine samples deformed at 25 °C or 1150–1250 °C both preserve stress heterogeneities of ~1 GPa that are imparted by dislocations and have correlation lengths of ~1 μm. The similar stress distributions formed at these different temperatures indicate that accumulation of stresses among dislocations also provides a contribution to transient creep at high temperatures. The results motivate a new generation of models that capture these intragranular processes and may refine predictions of evolving mantle viscosity over the earthquake cycle.
58 GEOSCIENCES↗
Stress-Alteration Enhancement of the Reactivity of Aluminum Nanoparticles in the Catalytic Decomposition of exo -Tetrahydrodicyclopentadiene (JP-10)
High energy density aluminum nanoparticles (AlNP) upon thermal annealing followed by super-quenching results in elevated stress levels in the metallic core and reduced surface energy at the core-shell interface. Isomer-selective vacuum ultraviolet based photoionization mass spectrometry coupled to a high temperature chemical microreactor reveals that these stress-altered (SA) AlNPs exhibit distinctive temperature-dependent reactivities towards catalytic decomposition of the hydrocarbon jet fuel exo-tetrahydrodicyclopentadiene (JP-10, C 10 H 16 ) compared to untreated (UN) AlNPs. SA-AlNPs show a delayed initiation of the decomposition for JP-10 by 200 K relative to the UN-AlNPs, however, the full decomposition is achieved at 100 K lower temperature. Furthermore, there is less oxygenated products that are generated from the alumina surface-induced heterogeneous oxidation process, and a larger fraction of closed and open-shell hydrocarbons. Furthermore, chemical insight bridging the reactivity order of SA-AlNPs at low and high temperatures, simultaneously, is obtained via a detailed examination of the product branching ratios obtained in this study.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗