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At least 487 records · Page 27

Effects of turbulence-radiation coupling in pressurized oxy-combustion

Concerns over climate change have led to numerous efforts in developing low-carbon energy technologies. Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emission in power generation. Due to the strong impact of pressure on thermal radiation, heat transfer in POC differs significantly from the situation of conventional atmospheric pressure combustion. Thus thermal radiation in POC needs to be investigated to aid new combustor development. The present computational work is a step in this direction, initiating a systematic analysis of thermal radiation and heat transfer in a pilot-scale POC combustor, which has been developed at Washington University in St. Louis (WUSTL). In a POC process, pulverized coal is burned under elevated pressure and O2-CO2 environment. While most previous computational works on flame radiation focused on atmospheric pressure condition, this work considered a pressurized flame. Specifically, a 15-bar POC combustor of power 50 kW is modeled employing the Ansys FLUENT commercial platform, using both Reynolds-averaged Navier-Stokes (RANS) modeling and large-eddy simulation (LES). A recently published and validated global radiation model is used to predict the radiative property of the flue gas. The discrete ordinates (DO) radiation model is chosen to solve the radiative transport equation. Incident radiation on the walls of the combustor is identified and investigated. It is revealed that for this pilot-scale, pressurized combustor, thermal radiation exhibits similar patterns in the RANS and LES models. However, the magnitudes of radiation are different in both models, presumably because interactions between radiation and turbulence are embedded in the LES model but not in the RANS model. This difference thereby underlines the major goal of this research: investigating the impact of such turbulence-to-radiation coupling on thermal radiation in a pilot-scale POC setting. Most previous studies on turbulence-to-radiation interactions focused on bench-scale, atmospheric pressure flames. This work is the first effort to extend this study to a pilot-scale, pressurized flame.

Li, Lei↗

Utah FORGE 5-2615: Well 58-32 and 78-32 Poroelastic Properties

Lab data on permeability, grain bulk modulus, drained bulk modulus, Skempton's pore pressure coefficient, and Biot's effective stress coefficient for Utah Forge Well 58-32 and Well 78-32. Work done as part of project number 5-2615 by the University of Oklahoma.

15 GEOTHERMAL ENERGY↗

Metrology for femtosecond pulsed x-ray heating in diamond anvil cell experiments at the European XFEL: Revisiting the iron phase diagram up to 150 GPa

The development of pulsed intense x-ray sources, such as free electron laser, offers new avenues for high pressure experiments. Here, we study the feasibility and metrology of x-ray heating in diamond anvil cells at the European x-ray free electron laser. This method enables one to volumetrically heat the sample while inhibiting chemical migration and probing the crystallographic structure of the sample throughout the heating with a high repetition rate. We focus our study on iron, whose phase diagram is well established up to 100 GPa, to explore the possibilities and limitations of this technique. We volumetrically heat iron samples at starting pressures ranging from 10 to 138 GPa, using the x-ray beam pulsed at 4.5 MHz in a serial pump-and-probe experimental design. Experimental challenges arise from temperature gradients within the sample, changes in temperature at the 100 ns timescale, the difficulty of direct temperature estimates, the effect of thermal pressure, and the presence of metastable crystallites due to rapid cycles of heating and cooling. Hence, we develop a multi-crystal-like data processing method that allows us to account for sample heterogeneity in probed conditions. We then calibrate our measurements using known physical properties of iron under pressure. Thermal pressure in our experiments increases from 4% of the isochoric prediction at 10 GPa to 23% at 138 GPa, and we show that our data are in agreement with most previous observations of iron in this pressure range. The method can now be implemented at higher pressures and temperatures and on materials with unknown phase diagrams.

Materials science↗

On the relationship between the multi-region relaxed variational principle and resistive inner-layer theory

We show that the variational energy principle of the multi-region relaxed magnetohydrodynamic (MRxMHD) model can be used to predict finite-pressure linear tearing instabilities. In this model, the plasma volume is sliced into sub-volumes separated by 'ideal interfaces', and in each volume the magnetic field relaxes to a Taylor state, where the pressure gradient $\nabla p = 0$. The MRxMHD model is implemented in the Stepped-Pressure Equilibrium Code (SPEC) so that the equilibrium solution in each region is computed while preserving the force balance across the interfaces. As SPEC computes the Hessian matrix (a discretized stability matrix), the stability of an MRxMHD equilibrium can also be computed with SPEC. In this article, using SPEC, we investigate the effect of local pressure gradients and the $\nabla p = 0$ in the vicinity of the resonant surface of a tearing mode. For low-beta plasma, we have been able to illustrate a relationship between the resistive singular-layer theory (Coppi et al 1966 Nucl. Fusion6 101; Glasser et al 1975 Phys. Fluids18 875–88) and the MRxMHD model. Within the singular layer, the volume-averaged magnetic helicity and the flux-averaged toroidal flux are shown to be the invariants for the linear tearing modes in SPEC simulations. Our technique to compute MRxMHD stability is first tested numerically in a cylindrical tokamak and its application in toroidal geometry is demonstrated. We demonstrate an agreement between the stability boundary obtained with SPEC simulation and the resistive inner-layer theories.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Support of the Development of EPP Plus SMT Design Method (FY2020 Test Results)

Experiments in support of the development of the integrated Elastic–Perfectly Plastic (EPP) analysis and Simplified Model Test (SMT) design methodology continued in FY 2020. The previously developed single-bar SMT (SBSMT) technique was successfully extended to tubular shaped Alloy 617 specimens for evaluation of the effect of primary pressure load on SMT creep-fatigue (CF) properties at 950°C. A series of pressurized SMT tests were performed with various elastic follow-up factors and strain ranges. The results show that the primary pressure load reduces the SMT CF cycles. The reduction of SMT CF life due to primary load was found to be dependent on strain ranges, elastic follow up and test temperatures. These results are crucial for verification of the EPP strain range analysis in the EPP+SMT evaluation procedure. Additionally, hold time effect on the SMT CF life cycles is a determining factor for generating the EPP+SMT CF design curves. Lack of test data in the high cycle and low strain range region results in major uncertainty in developing the design curves. In FY2020, experiments were designed, and testing started on Alloy 617 at 950°C to fill the gap in experimental data. The on-going CF and additional SMT CF with elastic follow-up at low strain ranges will generate the information needed to verify the methods for extrapolation to long hold time and finalize the EPP+SMT design method.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evidence for pressure induced unconventional quantum criticality in the coupled spin ladder antiferromagnet C 9 H 18 N 2 CuBr 4

Quantum phase transitions in quantum matter occur at zero temperature between distinct ground states by tuning a nonthermal control parameter. Often, they can be accurately described within the Landau theory of phase transitions, similarly to conventional thermal phase transitions. However, this picture can break down under certain circumstances. Here, we present a comprehensive study of the effect of hydrostatic pressure on the magnetic structure and spin dynamics of the spin-1/2 ladder compound C 9 H 18 N 2 CuBr 4 . Single-crystal heat capacity and neutron diffraction measurements reveal that the Néel-ordered phase breaks down beyond a critical pressure of Pc~1.0 GPa through a continuous quantum phase transition. Estimates of the critical exponents suggest that this transition may fall outside the traditional Landau paradigm. The inelastic neutron scattering spectra at 1.3 GPa are characterized by two well-separated gapped modes, including one continuum-like and another resolution-limited excitation in distinct scattering channels, which further indicates an exotic quantum-disordered phase above Pc.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The EGS Collab project: Outcomes and lessons learned from hydraulic fracture stimulations in crystalline rock at 1.25 and 1.5 km depth

With the goal of better understanding stimulation in crystalline rock for improving enhanced geothermal systems (EGS), the EGS Collab Project performed a series of stimulations and flow tests at 1.25 and 1.5 km depths. The tests were performed in two well-instrumented testbeds in the Sanford Underground Research Facility in Lead, South Dakota, United States. The testbed for Experiment 1 at 1.5 km depth contained two open wells for injection and production and six instrumented monitoring wells surrounding the targeted stimulation zone. Four multi-step stimulation tests targeting hydraulic fracturing and nearly year-long ambient temperature and chilled water flow tests were performed in Experiment 1. The testbed for Experiments 2 and 3 was at 1.25 km depth and contained five open wells in an outwardly fanning five-spot pattern and two fans of well-instrumented monitoring wells surrounding the targeted stimulation zone. Experiment 2 targeted shear stimulation, and Experiment 3 targeted low-flow, high-flow, and oscillating pressure stimulation strategies. Hydraulic fracturing was successful in Experiments 1 and 3 in generating a connected system wherein injected water could be collected. However, the resulting flow was distributed dynamically, and not entirely collected at the anticipated production well. Thermal breakthrough was not observed in the production well, but that could have been masked by the Joule-Thomson effect. Shear stimulation in Experiment 2 did not occur - despite attempting to pressurize the fractures most likely to shear - because of the inability to inject water into a mostly-healed fracture, and the low shear-to-normal stress ratio. The EGS Collab experiments are described to provide a background for lessons learned on topics including induced seismicity, the correlation between seismicity and permeability, distributed and dynamic flow systems, thermoelastic and pressure effects, shear stimulation, local geology, thermal breakthrough, monitoring stimulation, grouting boreholes, modeling, and system management.

15 - GEOTHERMAL ENERGY↗

Fuel Injection Dynamics and Composition Effects on RDE Performance

Rotating detonation engines (RDEs) provide a promising route to substantially increasing cycle efficiency in stationary gas turbines. Much of this increase relies on the ability to achieve consistent pressure gain within the combustor. In particular, the design of injectors that feed fuel and air into the detonation channel plays a crucial role. Such injectors have to ensure proper mixing of fuel and oxidizer, while minimizing backflow of detonation products into the feed plenums, and reduce susceptibility to the complex wave structures that exist within the combustor. From a practical perspective, such RDEs also need to operate with variable fuel composition. When fuel mixtures with components that possess vastly different oxidation pathways and time-scales are used, there could be additional losses through deflagrative burning instead of detonation-driven heat release. Such sensitivity to the complete flow path is akin to the physics of thermoacoustic instabilities in conventional gas turbines. In this sense, RDEs pose a unique research challenge: the performance of the device relies on the small-scale heat release process, which is highly dependent on the flow interactions within the full-scale system. As a result, canonical flow configurations, instrumented with detailed diagnostics or modeled using high-fidelity tools, but only focus on the small-scale processes will not contain the key system-level interactions. At the same time, macroscopic measurements and models that only capture system-level performance will not provide insight into the key sources of pressure losses. These couplings and sensitivities provide a formidable challenge to both experimental and simulation studies of the effects Thus, a joint experimental/computational program designed specifically to address these challenges was undertaken in this program. The focus of this program was on two key topics: a) the interaction between injector flow and the overall wave dynamics within the combustor, and b) the deflagration/detonation structure in multi-component fuels that are of practical interest. Both topics involve interaction of small-scale heat release processes with the geometry-dependent wave structure. Studies focused on the study of full-scale RDE systems, based on a 6-inch conventional annular geometry. Experimentally RDEs were studied using a combination of diagnostics. A combination of optical diagnostics and aero-thermo-acoustic analysis based on a combination of spectral and mode decomposition analysis was used to identify the dynamics of the detonation wave and other secondary waves that exist in the system. These studies have helped the identification and investigation of injector and detonation dynamics arising from coupling, and how they affect RDE mixing, detonation structure, operability and performance. Performance of RDEs was investigated through thrust stand measurements, which was used to evaluate the effective pressure gain generated by the system through the concept of equivalent available pressure. Optical diagnostics were developed and implemented to investigate the distribution of heat release, across the detonation wave. Novel optical diagnostics of NIR imaging was also developed and applied to investigate the high temperature / high pressure distribution across the detonation wave. In order to complement the experiments, the computational tools were geared to simulate the full experimental setup. GPU-based acceleration of the models and computations were developed to enable rapid simulation of the full system. In addition, the use of adaptive mesh refinement, and unstructured grid formulation, enabled the investigation of realistic geometries studied in the laboratory. The simulations produced a wealth of detail on the structure of the detonation wave under different operating conditions. Emphasis was placed on quantifying mixture pre-burning and the impact on wave propagation and structure.

03 NATURAL GAS↗

Ground state of Ce 3 Bi 4 Pd 3 unraveled by hydrostatic pressure

Noncentrosymmetric Ce 3 Bi 4 Pd 3 has attracted a lot of attention as a candidate for strongly correlated topological material, yet its experimental ground state remains a matter of contention. Two conflicting scenarios have emerged from a comparison to the prototypical Kondo insulator Ce 3 Bi 4 Pd 3 : Either Ce 3 Bi 4 Pd 3 is a spin-orbit-driven topological semimetal or a Kondo insulator with smaller Kondo coupling than its Pt counterpart. Here, we determine the ground state of Ce 3 Bi 4 Pd 3 via electrical resistivity measurements under hydrostatic pressure, which is a clean symmetry-preserving tuning parameter that increases hybridization but virtually preserves spin-orbit coupling. Ce 3 Bi 4 Pd 3 becomes more insulating under pressures up to 2.3 GPa, which is a signature of Ce-based Kondo insulating materials in the considered pressure range. Its small zero-pressure gap increases quadratically with pressure, similar to the behavior observed in the series Ce 3 Bi 4 (Pt 1 - x Pd x ) 3 , which indicates that Pt substitution and applied pressure have a similar effect. Finally, our result not only demonstrates that Kondo coupling, rather than spin-orbit coupling, is the main tuning parameter in this class of materials, but it also establishes that Ce 3 Bi 4 Pd 3 has a narrow-gap Kondo insulating ground state.

36 MATERIALS SCIENCE↗

Tutorial on Chemical Pressure Analysis: How Atomic Packing Drives Laves/Zintl Intergrowth in K3Au5Tl

The tight atomic packing generally exhibited by alloys and intermetallics can create the impression of their being composed of hard spheres arranged to maximize their density. As such, the atomic size factor has historically been central to explanations of the structural chemistry of these systems. However, the role atomic size plays structurally has traditionally been inferred from empirical considerations. The recently developed DFT-Chemical Pressure (CP) analysis has opened a path to investigating these effects with theory. In this article, we provide a step-by-step tutorial on the DFT-CP method for non-specialists, along with advances in the approach that broaden its applicability. A new version of the CP software package is introduced, which features an interactive system that guides the user in preparing the necessary electronic structure data and generating the CP scheme, with the results being readily visualized with a web browser (and easily incorporated into websites). For demonstration purposes, we investigate the origins of the crystal structure of K3Au5Tl, which represents an intergrowth of Laves and Zintl phase domains. Here, CP analysis reveals that the intergrowth is supported by complementary CP features of NaTl-type KTl and MgCu2-type KAu2 phases. In this way, K3Au5Tl exemplifies how CP effects can drive the merging for geometrical motifs derived from different families of intermetallics through a mechanism referred to as epitaxial stabilization.

36 MATERIALS SCIENCE↗

Influence of the Soret effect on binary-species boundary layers at high pressure

Direct numerical simulations of binary-species temporal boundary layers at high pressure are performed. The main objective is to investigate the influence of the Soret effect on flow physics of binary-species boundary layers where the fluid has a uniform composition. The working fluid is a mixture of 25 % methane and 75 % nitrogen in mass fraction. Although the fluid composition is uniform at the initial condition, the mass fraction of methane increases near the wall when the wall temperature is hotter than the free stream temperature, whereas it decreases when the wall temperature is colder. The non-uniform mass fraction indicates that the uphill diffusion occurs near the wall. Investigation of fluctuations of the mass fraction reveals that the mass fraction fluctuates in the whole boundary layer, indicating that the uphill diffusion occurs even far from the wall. Examination of the species-mass diffusion balance for mean flow fields clarified that the Soret effect flux becomes large near the wall, and the large flux causes the non-uniform profile of the mass fraction near the wall.

Binary Diffusion Coefficient↗

Evaluating the Effects of Transient Purge Flow on Stator-Rotor Seal Performance

Abstract As modern engine designs target higher efficiencies through increased turbine inlet temperatures, critical turbine components are at increased risk of damage from conditions exceeding material melting temperatures. In particular, improperly designed underplatform hardware components are susceptible to damage when hot main gas path flow is ingested into the stator-rotor cavity. While all turbines inherently experience transients during operation, a majority of publicly available turbine studies have been executed using steady operating conditions or inherently transient “blowdown” rigs. For this reason, routine transient events are not well understood. To address this need, the present study utilized a combined experimental and computational approach. The test article is a continuous-duration, one-stage test turbine operating with true-scale engine hardware and seal geometries at engine-representative flow conditions. The nature of the continuous-duration facility uniquely supports the direct assessment of transient events through its ability to transition between steady-state operating conditions. The effects of a transient purge flow were investigated in this study to identify general trends for transient events in a full-scale engine. Results from multiple measurement techniques in the wheelspace region show an interdependence of transient purge flow with a thermal lag of the underplatform hardware. Through experiments conducted at different coolant-to-main gas path temperature ratios, the use of pressure measurements as an indicator of fully purged behavior was introduced, and a thermally driven influence on rim seal performance was quantified. The computational results show good agreement with experimental pressure measurements and provide insight into the physical mechanisms that drive the relationship between pressure and sealing effectiveness measurements observed for the tested geometry.

Engineering↗

Spin-lattice model for cubic crystals

In this work, we present a methodology based on the Néel model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbit coupling like magnetocrystalline anisotropy and anisotropic magnetostriction, as well as exchange magnetostriction. Taking advantage of the analytical solutions of the Néel model, we derive theoretical expressions for the parametrization of the exchange integrals and Néel dipole and quadrupole terms that link them to the magnetic properties of the material. This approach allows us to build accurate spin-lattice models with the desired magnetoelastic properties. We also explore a possible way to model the volume dependence of magnetic moment based on the Landau energy. This feature allows us to consider the effects of hydrostatic pressure on the saturation magnetization. We apply this method to develop a spin-lattice model for BCC Fe and FCC Ni, and we show that it accurately reproduces the experimental elastic tensor, magnetocrystalline anisotropy under pressure, anisotropic magnetostrictive coefficients, volume magnetostriction, and saturation magnetization under pressure at zero temperature. This work could constitute a step towards large-scale modeling of magnetoelastic phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Neutral gas pressure dependence of ion–ion mutual neutralization rate constants using Landau–Zener theory coupled with trajectory simulations

In this computational study, we describe a self-consistent trajectory simulation approach to capture the effect of neutral gas pressure on ion–ion mutual neutralization (MN) reactions. The electron transfer probability estimated using Landau–Zener (LZ) transition state theory is incorporated into classical trajectory simulations to elicit predictions of MN cross sections in vacuum and rate constants at finite neutral gas pressures. Electronic structure calculations with multireference configuration interaction and large correlation consistent basis sets are used to derive inputs to the LZ theory. The key advance of our trajectory simulation approach is the inclusion of the effect of ion-neutral interactions on MN using a Langevin representation of the effect of background gas on ion transport. For H + – H – and Li + – H(D) – , our approach quantitatively agrees with measured speed-dependent cross sections for up to ~10 5 m/s. For the ion pair Ne + – Cl – , our predictions of the MN rate constant at ~1 Torr are a factor of ~2 to 3 higher than the experimentally measured value. Similarly, for Xe + – F – in the pressure range of ~20 000–80 000 Pa, our predictions of the MN rate constant are ~20% lower but are in excellent qualitative agreement with experimental data. Here, the paradigm of using trajectory simulations to self-consistently capture the effect of gas pressure on MN reactions advanced here provides avenues for the inclusion of additional nonclassical effects in future work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancement of the Curie temperature in single-crystalline ferromagnetic LaCrGe 3 by electron irradiation-induced disorder

LaCrGe 3 has attracted attention as a potential candidate for studies of quantum phase transitions in a ferromagnetic material. The application of pressure avoids a quantum critical point by developing a new magnetic phase. It was suggested that the disorder may provide an alternative route to a quantum critical point. We used low-temperature 2.5 MeV electron irradiation to induce relatively small amounts of pointlike disorder in single crystals of LaCrGe 3 . Irradiation leads to an increase of the resistivity at all temperatures with some deviation from the Matthiessen rule. Hall effect measurements show that electron irradiation does not cause any detectable change in the carrier density. Unexpectedly, the Curie temperature, T FM , increases with the increase of disorder from approximately 90 K in pristine samples up to nearly 100 K in the heavily irradiated sample, with a tendency towards saturation at higher doses. This effect is observed both in resistivity and magnetization measurements. Although the mechanism of this effect is not entirely clear, we conclude that it cannot be caused by effective “doping” or “pressure” due to electron irradiation. Finally, we suggest that disorder-induced broadening of a sharp peak in the density of states, D⁡(E), situated at E p = E F – 0.25 eV below the Fermi energy, E F , causes an increase in D⁡(E F ), leading to an enhancement of T FM in this itinerant ferromagnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reducing NOx Emissions in Ammonia Combustors

Ammonia continues to attract growing interest as a carbonneutral replacement fuel, motivating numerous research efforts toward understanding fundamental ammonia combustion characteristics. A major challenge for the use of ammonia is the development of combustor technologies for mitigating potentially high NOx emissions from the fuel-bound nitrogen chemical pathways to acceptable levels. Our work focuses on a staged RQL combustor architecture for minimizing the NOx emission levels through burning fuel-rich in the primary stage to formcombustion products containing significant levels of hydrogen in addition to nitrogen and water with minimal NOx formation. The subsequent quench and burnout stages of the combustor must then quickly burn residual hydrogen with flame-temperatures moderated by nitrogen and water forming in the first stage. Chemical Reactor Network modeling was used to understand and identify optimal stoichiometry and residence times in each stage for minimizing NOx emissions and to quantify pressure and temperature effects. Reducing the overall NOx emissions requires relatively long residence times in the primary stage to achieve near equilibrium NO levels due to kinetically controlling processes. For conditions relevant to gas turbines (e.g., 30 atm), our work indicates that NOx emissions below 20 ppm are theoretically achievable in a staged RQL combustor architecture. However, these emission predictions significantly depend on the accuracies of currently available chemical kinetic mechanisms which have not been extensively validated under elevated pressure and temperature conditions relevant to gas turbines.

10 SYNTHETIC FUELS↗

Cation uptake by fine aggregate in hardened cement mortar and its effect on electrical properties

Electrical resistivity tests can be used to evaluate the transport properties of concrete and provide a durability assessment. However, the electrical resistivity is largely dependent on the pore solution composition and recent work suggests that some aggregates have the capacity for cation uptake. This study first aims to provide further evidence for adsorption of cations on aggregate surfaces, without formation of reaction products (e.g. alkali-silica reaction). Secondly, hardened mortar samples were prepared using a fine aggregate with a high alkali affinity and a non-reactive fine aggregate as a control. The electrical resistivity of mortars was measured, and the pore solution of these mortars was obtained through high-pressure extraction. The effect of aggregate moisture dilution on the pore solution was decoupled by using a pore partitioning model. The results indicate that aggregate minerology can influence the pore solution composition through cation uptake. Specific minerals of minor quantity, like biotite, may be responsible for cation exchange. While adsorbed cations strongly affected pore solution and formation factor measurement, the bulk resistivity measurements on hardened mortar were only marginally influenced. Research on other implications of similar aggregate interactions with pore solutions are an intriguing area for future research.

Alkali-aggregate reaction↗

Effects of initial conditions and transport on ram pressure, Mach number, and uniformity for plasma liner formation and implosion

Plasma jet driven magneto-inertial fusion involves the merging of high Mach number plasma jets in a spherically converging geometry to form an imploding plasma liner. A three-dimensional smooth particle hydrodynamic simulation tool was used to study the number of plasma jets, jet density, and implosion velocity on the effects of formation and subsequent implosion of a plasma liner. The effects of different transport physics are presented. Thermal radiation and two-temperature modeling were found to have the most significant impact on the ram pressure. Solid angle averaged ram pressure and Mach number degradation were of particular interest in this study. Higher jet numbers were found to result in higher peak ram pressure. A spherical harmonic analysis was conducted for each case, providing a quantitative measure of the non-uniformity of the liner during the implosion process and how non-uniformities are affected by the different parameters explored in this study.

Schillo, Kevin↗