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DOE OSTI2022

Destabilization of binary mixing layer in supercritical conditions

Compressible mixing layer instabilities are of importance to a wide range of environmental and industrial applications. Past studies have focused on either ideal-gas or real-fluid thermodynamic regimes of single-species mixing layers. However, mixing layers of binary mixtures at supercritical conditions, commonly encountered in fuel injection systems, introduce additional complexities due to the added compositional degree-of-freedom. Moreover, the effect of strong variations in thermodynamic response functions across the Widom line on the binary mixing layer stability remains poorly understood. Thus, the objective of this study is to examine the coupling between the hydrodynamic instability and the real-fluid thermodynamics across the Widom line and its effects on the overall binary mixing layer dynamics. To this end, we develop a linear stability analysis of the full binary-species compressible transport equations coupled with the PC-SAFT equation of state. Analysis shows the existence of a novel instability mechanism that arises from juxtapositioning of the Widom-line transition and the hydrodynamic inflection point. This novel thermodynamically induced instability mechanism has the net effect of destabilizing the binary mixing layer at lowering supercritical conditions towards the critical pressure point. This is in contrast to previous stability analyses of supercritical single-species mixing layers, where increasing pressure destabilizes the flow due to its effect on reducing the density stratification. The discovered thermodynamically induced instability mechanism of binary mixing flows highlights the need for an extension of classical instability criteria to incorporate the effect of strong variations in the thermodynamic response functions across the Widom line on mixing layer instability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1992

Ultraviolet emission in the dark cloud toward HD 62542

We have obtained low resolution IUE short wavelength spectra at several positions within a ridge of molecular gas within the Gunn Nebula. Optical absorption line measurements toward HD 62542 indicate moderately high densities within the ridge. The physical appearance of the ridge, along with H-alpha and IRAS images of the nebula, suggest that winds and radiation from Gamma Vel and Zeta Pup are heating and compressing the ridge. The IUE spectra revealed faint C II and C III emission at one position, while C IV was weakly detected at another. The former are interpreted as arising in photoionized gas while the latter probably arises in a shocked wind striking the ridge. No detections were made at other positions in the ridge.

O'Donnell, James E.↗

NASA NTRS1991

Magnetized supernova remnants with cosmic rays

The effects of interstellar magnetic fields and cosmic rays on the dynamics of an SNR expanding into a warm H I gas are examined. As long as the shock wave driven by the SN explosion propagates faster than 110 km/s, the vicinity of the shock front is fully ionized, and cosmic rays are well coupled to the thermal fluid. They are first accelerated at the adiabatic front, and further compressed in the postshock cooling zone. When the shock velocity drops below 110 km/s, ion-neutral collisions in the vicinity of the shock dissipate the waves which couple cosmic rays to the thermal gas, and impede cosmic-ray acceleration. It is found that magnetic and cosmic-ray pressures together dominate over thermal pressure away from the magnetic poles. As a result, most of the shell becomes considerably thicker, and the shock wave propagates somewhat faster than in the nonmagnetic case. At late times, the transverse mass motions which take place from the poles to the equator create H I holes at the polar caps. This theory leads to a simple interpretation of the 'barrel-shaped' distribution of radio emission observed in some SNRs.

Ferriere, Katia M.↗

DOE OSTI2025

Real-fluid behavior in rapid compression machines: Does it matter?

Rapid compression machines (RCMs) have been extensively used to quantify fuel autoignition chemistry and validate chemical kinetic models at high-pressure conditions. Historically, the analyses of experimental and modeling RCM autoignition data have been conducted based on the adiabatic core hypothesis with ideal gas assumption, where real-fluid behavior has been completely overlooked, though this might be significant at common RCM test conditions. Here, this work presents a first-of-its-kind study that addresses two significant but overlooked questions for autoignition studies within RCMs in the fundamental combustion community: (i) experiment-wise, can unaccounted-for real-fluid behavior in RCMs affect the interpretation and analysis of RCM experimental data? and (ii) simulation-wise, can unaccounted-for real-fluid behavior in RCMs affect RCM autoignition modeling and the validation of chemical kinetic models? To this end, theories for real-fluid isentropic change are newly proposed and derived based on high-order Virial EoS, and are further incorporated into an effective-volume real-fluid autoignition modeling framework newly developed for RCMs. With detailed analyses, the strong real-fluid behavior in representative RCM tests is confirmed, which can greatly influence the interpretation of RCM autoignition experiments, particularly the determination of end-of-compression temperature and evolution of the adiabatic core in the reaction chamber. Furthermore, real-fluid RCM modeling results reveal that considerable error can be introduced into simulating RCM autoignition experiments when following the community-wide accepted effective-volume approach by assuming ideal-gas behavior, which can be as high as 64% in the simulated ignition delay time at compressed pressure of 125 bar and lead to contradictory validation results of chemical kinetic models. Therefore, we recommend the community to adopt frameworks with real-fluid behavior fully accounted for (e.g., the one developed in this study) to analyze and simulate past and future RCM experiments, so as to avoid misinterpretation of RCM autoignition experiments and eliminate the potential errors that can be introduced into the simulation results with the existing RCM modeling frameworks.

High-order Virial equation of state↗

NASA NTRS1979

Dedicated nuclear facilities for electrolytic hydrogen production

An advanced technology, fully dedicated nuclear-electrolytic hydrogen production facility is presented. This plant will produce hydrogen and oxygen only and no electrical power will be generated for off-plant use. The conceptual design was based on hydrogen production to fill a pipeline at 1000 psi and a 3000 MW nuclear base, and the base-line facility nuclear-to-shaftpower and shaftpower-to-electricity subsystems, the water treatment subsystem, electricity-to-hydrogen subsystem, hydrogen compression, efficiency, and hydrogen production cost are discussed. The final conceptual design integrates a 3000 MWth high-temperature gas-cooled reactor operating at 980 C helium reactor-out temperature, direct dc electricity generation via acyclic generators, and high-current density, high-pressure electrolyzers based on the solid polymer electrolyte approach. All subsystems are close-coupled and optimally interfaced and pipeline hydrogen is produced at 1000 psi. Hydrogen costs were about half of the conventional nuclear electrolysis process.

Foh, S. E.↗

NASA NTRS1983

The interaction of the solar wind with Venus

While the Venus ionosphere, rather than magnetosphere as on the earth, deflects the solar wind flow, this deflection is accomplished with the deformation of a bow shock which heats and compresses the solar wind flow, and is closer to the planet and weaker than would be expected for an ideal gas dynamic interaction with a perfectly reflecting obstacle. The ionized magnetosheath flow can interact directly with the neutral atmosphere through charge exchange, which removes momentum from the flow, and photoionization; both processes adding mass to the solar wind because the high altitude neutral atmosphere is mostly composed of oxygen rather than hydrogen. The magnetotail of Venus also differs from that of the earth in that the mass loading of the magnetosheath flow slows the transport of magnetic flux tubes past the planet, while the ends of the tubes continue to travel rapidly in the solar wind, so that the planet accretes interplanetary magnetic flux.

Russell, C. T.↗

NASA NTRS1988

Theoretical studies of solar lasers and converters

The previously constructed one dimensional model for the simulated operation of an iodine laser assumed that the perfluoroalkyl iodide gas n-C3F7I was incompressible. The present study removes this simplifying assumption and considers n-C3F7I as a compressible fluid.

Heinbockel, John H.↗

NASA NTRS1999

A One Dimensional, Time Dependent Inlet/Engine Numerical Simulation for Aircraft Propulsion Systems

The NASA Lewis Research Center (LeRC) and the Arnold Engineering Development Center (AEDC) have developed a closely coupled computer simulation system that provides a one dimensional, high frequency inlet/engine numerical simulation for aircraft propulsion systems. The simulation system, operating under the LeRC-developed Application Portable Parallel Library (APPL), closely coupled a supersonic inlet with a gas turbine engine. The supersonic inlet was modeled using the Large Perturbation Inlet (LAPIN) computer code, and the gas turbine engine was modeled using the Aerodynamic Turbine Engine Code (ATEC). Both LAPIN and ATEC provide a one dimensional, compressible, time dependent flow solution by solving the one dimensional Euler equations for the conservation of mass, momentum, and energy. Source terms are used to model features such as bleed flows, turbomachinery component characteristics, and inlet subsonic spillage while unstarted. High frequency events, such as compressor surge and inlet unstart, can be simulated with a high degree of fidelity. The simulation system was exercised using a supersonic inlet with sixty percent of the supersonic area contraction occurring internally, and a GE J85-13 turbojet engine.

Doug Garrard↗

NASA NTRS1995

Useful Scaling Parameters for the Pulse Tube

A set of eight non-dimensional scaling parameters for use in evaluating the performance of Pulse Tube Refrigerators is presented. The parameters result after scaling the mass, momentum and energy conservation equations for an axisymmetric, two-dimensional system. The physical interpretation of the parameters are described, and their usefulness is outlined for the enthalpy flow tube (open tube of the pulse tube). The scaling parameters allow the experimentalist to characterize three types of transport: enthalpy flow, mass streaming and heat transfer between the gas and the tube. Also reported are the results from a flow visualization experiment in which steady mass streaming in compressible oscillating flow is observed.

Lee, J. M.↗

NASA NTRS2002

Photoevaporation of Clumps in Photodissociation Regions

We present the results of an investigation of the effects of Far Ultraviolet (FUV) radiation (6.0eV < hv < 13.6eV) from hot early type OB stars on clumps in star-forming molecular clouds. Clumps in FUV-illuminated regions (or photodissociation regions or PDRs) undergo external heating and photodissociation as they are exposed to the FUV field, resulting in a loss of cold, molecular lump mass as it is converted to warm atomic gas. The heating, if rapid, creates strong photoevaporative mass flows off the clump surfaces, and drives shocks into the clumps, compressing them to high densities. The clumps lose mass on relatively short timescales. The evolution of an individual clump is found to be sensitive to three dimensionless parameters: Nc0, the ratio of the initial column density of the clump to the column N(0) approx. 10(exp 21) cm(exp -2) of a warm FUV-heated surface region; upsilon, the ratio of the sound speed in the heated surface to that in the cold clump material: and t(FUV)t(c), the ratio of the "turn-on time" t(FUV) of the heating flux on a clump to its initial sound crossing-time t(c). The evolution also depends on whether a confining interclump medium exists, or whether the interclump region has negligible pressure, as is the case for turbulence-generated clumps. In this paper, we use spherical 1-D numerical hydrodynamic models as well as approximate analytical models to study the dependence of clump photoevaporation on the physical parameters of the clump, and to derive the dynamical evolution, mass loss rates and photoevaporative timescales of a clump for a variety of astrophysical situations. Turbulent clumps evolve so that their column densities are equal to a critical value determined by the local FUV field, and typically have short photo evaporation timescales, approx. 10(exp 4-5) years for a 1 M(solar mass) clump in a typical star-forming region (Nc0 = 10, upsilon = 10). Clumps with insufficient magnetic pressure support, and in strong FUV fields may be driven to collapse by the compressional effect of converging shock waves. We also estimate the rocket effect on photoevaporating clumps and find that it is significant only for the smallest clumps, with sizes much less than the extent of the PDR itself. Clumps that are confined by all interclump medium may either get completely photoevaporated, or may preserve a shielded core with a warm, dissociated, protective shell that, absorbs the incident FUV flux. We compare our results with observations of some well studied PDRs: the Orion Bar, M17SW NGC 2023 and the Rosette Nebula. The data are consistent with both interpretations of clump origin. turbulence and pressure confinement, with a slight indication for favouring the turbulent model for clumps over pressure-confined

Gorti, Uma↗

NASA NTRS2010

Optical Mass Gauging System for Measuring Liquid Levels in a Reduced Gravity Environment

A compact and rugged fiber-coupled liquid volume sensor designed for flight on a sounding rocket platform is presented. The sensor consists of a Mach-Zehnder interferometer capable of measuring the amount of liquid contained in a tank under any gravitational conditions, including a microgravity environment, by detecting small changes in the index of refraction of the gas contained within a sensing region. By monitoring changes in the interference fringe pattern as the system undergoes a small compression provided by a piston, the ullage volume of a tank can be directly measured allowing for a determination of the liquid volume. To demonstrate the technique, data are acquired using two tanks containing different volumes of liquid, which are representative of the levels of liquid in a tank at different time periods during a mission. The two tanks are independently exposed to the measurement apparatus, allowing for a determination of the liquid level in each. In a controlled, laboratory test of the unit, the system demonstrated a capability of measuring a liquid level in an individual tank of 10.53 mL with a 2% error. The overall random uncertainty for the flight system is higher than that one test, at +/- 1.5 mL.

Sullenberger, Ryan M.↗

DOE OSTI2022

Evaluation of a novel mid-infrared pyrometer for dynamic material experiments

Dynamic experiments create high-pressure shock waves on the microsecond time scale (or smaller), compressing materials to high pressures and temperatures and enabling the study of material properties at these conditions. Other dynamic studies use quasi-isentropic compression to produce similar high pressures at much lower temperatures. High pressure experiments performed on dynamic platforms such as gas-guns, laser, and pinch machines generate up to several hundred GPa in the sample pressure conditions12. Related static studies include diamond anvil cells, which obtain high pressures and have extremely high precision, but are most often conducted at room temperature or modest temperature increases (often <2000K). By combining these methods, material properties across a wide range of thermodynamic conditions can be probed, and a high quality equation of state (EOS) constructed.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone

Using the recently developed multistate mapping approach to surface hopping (multistate MASH) method combined with SA(3)-CASSCF(12,12)/aug-cc-pVDZ electronic structure calculations, the gas-phase isotropic ultrafast electron diffraction (UED) of cyclobutanone is predicted and analyzed. After excitation into the n-3s Rydberg state (S2), cyclobutanone can relax through two S2/S1 conical intersections, one characterized by compression of the CO bond and the other by dissociation of the α–CC bond. Subsequent transfer into the ground state (S0) is then achieved via two additional S1/S0 conical intersections that lead to three reaction pathways: α ring-opening, ethene/ketene production, and CO liberation. The isotropic gas-phase UED signal is predicted from the multistate MASH simulations, allowing for a direct comparison to the experimental data. This work, which is a contribution to the cyclobutanone prediction challenge, facilitates the identification of the main photoproducts in the UED signal and thereby emphasizes the importance of dynamics simulations for the interpretation of ultrafast experiments.

Chemistry↗

DOE OSTI2020

Wireless Instrumented RB Experiment Preliminary Design and Analysis

The ability to deploy new nuclear fuels for current or future reactor concepts requires carefully designed experiments to generate data to support fuel qualification. Ideally these experiments would include state of-the-art sensing to maximize the amount of in situ data that can be collected during operation. Furthermore, advanced reactor systems can take advantage of integrated in-core sensing technologies to maximize fuel utilization, reduce unnecessary conservativism in design margins, and improve operator’s understanding of limiting peaking factors. Before any novel sensing technologies can be readily adopted for nuclear applications, they must first demonstrate acceptable performance in test reactors. This report summarizes the preliminary design and analysis of the most highly instrumented irradiation experiment ever performed in the removable beryllium (RB) positions of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). The Wireless Instrumented RB Experiment 2021 (WIRE-21) will test a wide range of sensors including wireless sensors being developed by Westinghouse Electric Company (WEC) that could provide in situ measurements of peak fuel temperatures and fuel rod pressurization due to fission gas release. The ability to wirelessly transmit a signal through the fuel rod’s cladding is critical to improving fuel monitoring capabilities without requiring signal penetrations through the cladding pressure boundary, which would significantly impact fuel fabrication, handling, and operation. Other sensors that will be tested in WIRE-21 include an array of thermocouples, self-powered neutron detectors (SPNDs), and spatially distributed fiber-optic temperature sensors. More generally, WIRE-21 will establish a flexible irradiation vehicle design to allow accelerated, economical testing of advanced sensor technologies while leveraging the extremely high neutron flux that is available in HFIR. This report summarizes the mechanical design for WIRE-21, the experimental test matrix, initial neutronic and thermal design analyses, and the active monitoring and control system enhancements necessary to support testing of advanced sensor technologies. The containment for WIRE-21 is similar to previous RB irradiation vehicles but includes a few modifications, most notably the use of integrated compression seals to pass a larger number of sensor leads through the experiment’s pressure boundary. In addition to the sensor leads, inert gas lines are passed into the experiment to enable active temperature control and the ability to pneumatically actuate a bellows-driven pressure sensor. WIRE-21 is targeting temperatures (300–350°C) and neutron fluence levels (~10 22 n/cm 2 ) relevant to light water reactors (LWRs), but the flexible design of the experiment vehicle allows much higher operating temperatures (>1,100°C). Neutronic calculations determine the neutron flux conditions as well as the nuclear heating within the experiments. These results are used as inputs to detailed thermal finite element calculations, which are required to evaluate the complex, three-dimensional heat transfer that occurs within WEC’s wireless sensor enclosures. Initial results show that the temperatures of the sensors’ enclosures and the metal bellows can be operated near the temperature range of LWR coolants and cladding while simultaneously increasing the temperature of a surrogate fuel material to values in the range of 800–1200°C to simulate centerline fuel temperatures during LWR operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Numerical Solution of the Steady-State Network Flow Equations for a Non-Ideal Gas

Herein we formulate a steady-state network flow problem for non-ideal gas that relates injection rates and nodal pressures in the network to flows in pipes. For this problem, we present and prove a theorem on uniqueness of generalized solution for a broad class of non-ideal pressure-density relations that satisfy a monotonicity property. Further, we develop a Newton-Raphson algorithm for numerical solution of the steady-state problem, which is made possible by a systematic non-dimensionalization of the equations. The developed algorithm has been extensively tested on benchmark instances and shown to converge robustly to a generalized solution. Previous results [1]-[4], indicate that the steady-state network flow equations for an ideal gas are difficult to solve by the Newton-Raphson method because of its extreme sensitivity to the initial guess. In contrast, we find that non-dimensionalization of the steady-state problem is key to robust convergence of the Newton-Raphson method. We identify criteria based on the uniqueness of solutions under which the existence of a non-physical generalized solution found by a non-linear solver implies non-existence of a physical solution, i.e., infeasibility of the problem. Finally, we compare pressure and flow solutions based on ideal and non-ideal equations of state to demonstrate the need to apply the latter in practice. The solver developed in this article is open-source and is made available for both the academic and research communities as well as the industry.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

A multi-wavelength streaked optical pyrometer for dynamic shock compression measurements above 2500 K

This work presents a concept and implementation of a calibrated streaked spectral pyrometer (SSP) temperature diagnostic used in dynamically driven shock experiments on a two-stage gas gun. This system relies upon measuring the total system response using a tunable monochromator, a NIST-traceable calibrated power meter, and a SSP. The diagnostic performance is validated against previously measured temperatures of shock driven z-cut quartz at 99 GPa and 93 GPa. The results are found to agree with the literature to within 5% and are discussed in this manuscript. The experimental setup utilizes measurements from multiple SSP systems per sample, providing several independent measurements and substantially increasing confidence in the extrapolated shock driven sample temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

DECOVALEX-2023: Task A Final Report

Task A, also known as HGFrac, examines the fracturing processes that may occur in the Callovo-Oxfordian claystone (COx) in the context of the high-level (HLW) and intermediate-level long-lived (ILW-LL) radioactive waste repository in France. Understanding these processes and improving numerical models to reproduce them will aid in the design, optimization, and safety of the repository. Heat and gas fracturing are studied in two independent subtasks following a stepwise approach: laboratory tests/benchmark exercises, in-situ experiment, and finally, an application case. The in-situ heater experiment aimed to thermally induce a hydraulic fracture; temperature and pore pressure were monitored to detect any evidence of fracturing. The in-situ gas injection experiment aimed to study the effect of the stress orientation and gas injection kinetics on the gas fracturing process. The occurrence of fracturing was monitored by gas pressure measured in the injection interval. In both experiments, the excavation-induced fracture network around the heater/injection boreholes played an important role in the reduction of the compressive stress state, leading to both a tensile and shear failure response of the COx. During the first two years of the project, the research teams working on each task developed and/or proposed numerical approaches for reproducing the occurrence of fracturing in the in-situ experiments. The failure criteria were defined by reproducing the measurements from laboratory extension tests for the heat fracturing subtask. In the gas fracturing subtask, their approaches were used for simulating several benchmark exercises, and an inter-comparison between models was carried out. In both tasks, the developed approaches were compared with a simplified approach considering poro-elasticity for the mechanical behaviour of the COx. Most of the developed approaches are based on a continuous medium that takes into account variations in hydraulic properties due to mechanical degradation, such as plastic deformation or damage. Other approaches implicitly modelled weak planes or embedded discontinuities to reproduce fracture propagation. The potential for fracture initiation was also studied through of a discrete approach. In the second half of the project, the research teams mainly focused on interpretative modelling of two in-situ experiments and a blind prediction exercise to test their respective approaches. The models developed by the research teams were also applied at the repository scale to evaluate fracture initiation in a case study under vi unfavourable conditions, particularly in terms of spacing between High-Level Waste cells. The results showed that the poro-elasticity approach could be an efficient tool for understanding the main processes occurring in the COx. One example is the explicit representation of the excavation-induced fracture network around the boreholes, which yielded acceptable results compared to the measurement data. However, advanced approaches were needed to evaluate the potential increase of the excavation-induced fracture network extend and better understand fracture initiation. The stress analyses carried out by the teams revealed that hydraulic boundary conditions had a strong impact on fracture initiation in the heater experiment. Furthermore, in most cases, the results required higher pore pressure increments to reach fracturing than those measured in the experiment. This implies that the measurements may have been biased by the packer’s capacity to fully isolate the piezometric chambers, leading to lower pressures. On the contrary, there was no agreement on the fracturing mode, as some reported either shear or tensile fracturing, while others reported a combination of the two modes. In the case of gas fracturing, the research teams were limited to the comparison of a single point, which complicated their task. Nonetheless, the numerical results were able to reproduce the measurements and capture processes such as longitudinal gas flow through the excavation-induced fracture network, as suggested by some evidence in the observation piezometric chambers. The numerical models also agreed with the measurements in the sense of higher probability of developing along the injection borehole than radially towards the sound rock. The approaches developed by the research teams showed that they are capable of analysing and reproducing fracture initiation in the COx. However, areas of future work should focus on the fracture propagation and fracture aperture, which were out of the scope of this task. To this end, additional data must be gathered for the parameter characterisation and validation of the numerical models. Nonetheless, various approaches showed promising results as they were able to reproduce fracture development under certain conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Drive-pressure optimization in ramp-wave compression experiments through differential evolution

Ramp-wave dynamic-compression experiments are used to examine quasi-isentropic loading paths in materials. The gradual and continuous increase in pressure created by ramp waves make these types of experiments ideal for studying nonequilibrium material behavior, such as solidification kinetics. In ramp-wave compression experiments, the input drive pressure to the experimental setup may be exerted through one of a number of different mechanisms (e.g., magnetic fields, gas-gun-driven impactors, or high-energy lasers) and is generally required for simulating such experiments. Yet, regardless of the specific mechanism, this drive pressure cannot be measured directly (measurements are generally taken at a location near the back of the experimental setup through a transparent window), leading to an inverse problem where one must determine the drive pressure at the front of the experimental setup (i.e., the input) that corresponds to the particle velocity (the output) measured near the back of the experimental setup. Furthermore, we solve this inverse problem using a heuristic optimization algorithm, known as differential evolution, coupled with a multiphysics, hydrodynamics code that simulates the compression of the experimental setup. By running many rounds of forward simulations of the experimental setup, our optimization process iteratively searches for a drive pressure that is optimized to closely reproduce the experimentally measured particle velocity near the back of the experimental setup. While our optimization methodology requires a significant number of hydrodynamics simulations to be conducted, many of these can be performed in parallel, which greatly reduces the time cost of our methodology. One novel aspect of our method for determining the drive pressure is that it does not require physical modeling of the drive mechanism and can thus be broadly applied to many types of ramp-compression experiments, regardless of the drive mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗