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At least 505 records · Page 28

Re-forming supercritical quasi-parallel shocks. I - One- and two-dimensional simulations

The process of reforming supercritical quasi-parallel shocks is investigated using one-dimensional and two-dimensional hybrid (particle ion, massless fluid electron) simulations both of shocks and of simpler two-stream interactions. It is found that the supercritical quasi-parallel shock is not steady. Instread of a well-defined shock ramp between upstream and downstream states that remains at a fixed position in the flow, the ramp periodically steepens, broadens, and then reforms upstream of its former position. It is concluded that the wave generation process is localized at the shock ramp and that the reformation process proceeds in the absence of upstream perturbations intersecting the shock.

Thomas, V. A.↗

Dynamic process intensification: Fundamentals and implementation to ternary distillation

Distillation remains a key technology for separating liquid mixtures. Its versatility comes with the disadvantage of high energy consumption. We previously used empirical arguments to introduce dynamic process intensification (DPI) as a strategy for improving the energy efficiency of binary distillation. In this article, we focus on ternary distillation; we begin by providing a rigorous basis for DPI, then formulate the problem of identifying the operating states for DPI as a nonlinear optimization problem. Via an extensive case study considering a hydrocarbon mixture, we demonstrate that reboiler energy use can be reduced by more than 2.3% relative to an equivalent column operating at steady state. Here, we prove that this result is due to the fact that DPI aims to satisfy product flow and quality constraints on average in time, affording broader opportunities for optimizing column economics than steady-state operation, where constraints are met strictly at all times.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

BODIPY based A-D-A molecules: Effect of CF3 group substitution at meso phenyl group

Two pairs of A-D-A molecules have been created with fluorene and benzodithiophene as the central donor subunits and terminal BODIPY units, functionalized with either a 4-methylphenyl or 4-trifluoromethylphenyl group at the meso position. The effect of the para substituent of the meso phenyl group on the photophysical properties of these molecules is studied through steady state absorption and fluorescence spectroscopy as well as femtosecond transient absorption and time resolved fluorescence spectroscopy techniques. Applicability of these molecules as donors in solution processed solar cell active layers was investigated through time resolved microwave conductivity measurements on blends with PC60BM acceptor, which shows a varying yield of charge transfer with choice of substituent. Transient absorption spectroscopy is then employed to investigate the role of the 4-trifluoromethylphenyl group in altering the efficiency of charge transfer from these A-D-A molecules to PC60BM. The results show a consistent picture of picosecond charge transfer and a component of a few hundred ps geminate recombination that results in a small yield of long-lived free charges optimized for the methylphenyl derivatives.

36 MATERIALS SCIENCE↗

On the violation of the zeroth law of turbulence in space plasmas

The zeroth law of turbulence states that, for fixed energy input into large-scale motions, the statistical steady state of a turbulent system is independent of microphysical dissipation properties. This behaviour, which is fundamental to nearly all fluid-like systems from industrial processes to galaxies, occurs because nonlinear processes generate smaller and smaller scales in the flow, until the dissipation – no matter how small – can thermalise the energy input. Using direct numerical simulations and theoretical arguments, we show that in strongly magnetised plasma turbulence such as that recently observed by the Parker Solar Probe spacecraft, the zeroth law is routinely violated. Namely, when such turbulence is ‘imbalanced’ – when the large-scale energy input is dominated by Alfvénic perturbations propagating in one direction (the most common situation in space plasmas) – nonlinear conservation laws imply the existence of a ‘barrier’ at scales near the ion gyroradius. This causes energy to build up over time at large scales. The resulting magnetic-energy spectra bear a strong resemblance to those observed in situ , exhibiting a sharp, steep kinetic transition range above and around the ion-Larmor scale, with flattening at yet smaller scales. The effect thus offers a possible solution to the decade-long puzzle of the position and variability of ion-kinetic spectral breaks in plasma turbulence. The existence of the ‘barrier’ also suggests that, how a plasma is forced at large scales (the imbalance) may have a crucial influence on thermodynamic properties such as the ion-to-electron heating ratio.

Physics↗

Pore-Scale Simulation of Spectral Induced Polarization

A new model was developed to simulate spectral induced polarization (SIP) in porous media. The model is based on a pore-network approximation of the soil or rock, in which bonds between pores are represented by equivalent circuits. In the circuit model, electrolytic and surface conduction occur in parallel, with the electrolyte behaving as a single resistor, and the mineral surface behaving as a resistor and capacitor in series. Based on the pore geometry, fluid conductivity, and mineral surface conductivity, an impedance network is generated. SIP spectra are calculated by solving the sinusoidal steady-state electrical problem for a range of frequencies. The new model provides a tool to bridge the gap between (1) our fundamental understanding of polarization processes at the scale of a single pore or grains and (2) existing simulation capabilities for macroscale systems that do not account for pore-scale properties. The model is implemented in Matlab and can solve two-dimensional and three-dimensional (2D and 3D) networks. Examples for regular cubic lattices are presented, but the method and code are flexible with respect to pore geometries and allow for future leveraging of existing open-source capabilities for generation of pore networks and extraction of network geometries from micro imaging of core samples.

58 GEOSCIENCES↗

Requirements Description of VARPOW

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s VARPOW code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of VARPOW verification tasks necessary to verify VARPOW for usage on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3D-VARIANT. As covered in [1], the VARPOW program was built to provide input for follow-on steady state thermal-hydraulic analysis. Its primary purpose is to act as the interface between DASSH and DIF3D-VARIANT. The outputs from VARPOW are contained in three output files: Output.VARPOW, VariantMonoExponents.out, and MaterialPower.out.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Electric propulsion interactive effects with spacecraft science payloads.

Interactive effects between electric thruster units and a Solar Electric Pioneer (SEP) spacecraft science payload are investigated. Studied effects include magnetic contamination (steady state), electric contamination (steady state and time varying) and particle contamination of regions in and around the spacecraft. Conducted electromagnetic interference is measured for thrusters powered with prototype power processing units and radio frequency interference effects between the thruster and the omnidirectional low gain antenna are determined. Material deposition and transport of thruster propellant ions and atoms and charge exchange metal ions and atoms are also experimentally determined. Large scale environmental effects between the plasma thrust beam and the particles and fields in interplanetary space are discussed. Contaminant reduction techniques are proposed, and both laboratory and in-space interactive effects tests are suggested.

Sellen, J. M., Jr.↗

Experimental and theoretical dynamics of isoelectric focusing - Elucidation of a general separation mechanism

The transient states in isoelectric focusing were monitored using a potential gradient array detector. Electric field profiles are presented which show the formation of transient moving boundaries, as well as the approach of the steady-state distribution, during the focusing of two- and three-component systems. The results are completely consistent with corresponding computer-simulation data. The focusing process is comprised of two sequential phases, a relatively rapid separation phase and a much slower stabilizing phase. It was found that the second phase can last as much as 20 times longer than the separation of the constituents.

Thormann, W.↗

Mechanistic studies of the CO-oxidation reaction on catalysts for use in long-life CO2 lasers

The catalytic recombination of carbon monoxide and oxygen was studied under conditions expected to be present in a sealed E-beam CO2 laser system. These conditions are typically a gas inlet temperature of 60 C, a substoichiometric CO/O2 ratio of ca. 2.5/1 with an oxygen feed rate of ca. 5 micromoles/s, a carrier gas comprising He, N2 and CO2 in the ratio of 3:2:1, near atmospheric pressure and a gas velocity of 4 m/s. Heterogeneous catalysts, based on precious metal supported on tin oxide, have been coated onto ceramic monoliths and tested for catalytic activity and stability after a reduction/passivation step. Two catalyst systems have been chosen. These are Pt/Pd/SnO2 and Pt/Ru/SnO2. Under the conditions described above, a characteristic decline in catalytic activity is apparent for both systems, and exit gas temperature has been recognized as a sensitive parameter by which to monitor the activity changes. A semilogarithmic plot of exit temperature as a function of time has revealed two distinct processes connected with the decline in activity: one process is associated with reduction of the oxidized precious metal (at Site A), whilst the other is related to the formation and approach to steady-state of an active site at the metal/support interface (Site B).

Dawood, Talat↗

Creep deformation of B2 aluminides

The creep resistance and elevated temperature deformation mechanisms in CoAl, FeAl, and NiAl are reviewed. The stress and temperature dependencies of the steady state creep rate, the primary creep behavior, the dislocation substructure, and the response during transient tests are used as the main indicators of the deformation processes. In single phase intermetallics, the influence of grain size, stoichiometry, and solid solution hardening have been examined. In addition, the effect of adding dispersoids, precipitates, and other types of reinforcements to improve creep strength are compared.

Nathal, M. V.↗

Creep Deformation of B2 Alumindes

The creep resistance and elevated temperature deformation mechanisms in CoAl, FeAl, and NiAl are reviewed. The stress and temperature dependencies of the steady state creep rate, the primary creep behavior, the dislocation substructure, and the response during transient tests are used as the main indicators of the deformation processes. In single phase intermetallics, the influence of grain size, stoichiometry, and solid solution hardening have been examined. In addition, the effect of adding dispersoids, precipitates, and other types of reinforcements to improve creep strength are compared.

Nathal, M. V.↗

Development of a calculation framework coupling Monte Carlo neutronics, subchannel thermal-hydraulics and 1.5D fuel thermo-mechanics

A coupled calculation system consisting of the Monte Carlo neutronic solver SERPENT and the fuel behaviour solver TRANSURANUS was extended with the sub-channel thermal-hydraulic solver SUBCHANFLOW to form a coupled calculation framework for multi-physics reactor analyses. The coupling between the 3 solvers was accomplished via a driver program written in Perl that runs the solvers, processes and transfers the output data between the solvers and monitors the convergence. While some features of the coupling are still under development, a steady-state coupled calculation resulting in convergence was performed for a single hexagonal fuel assembly to demonstrate that the base functionalities work as expected. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Volcanic control of the Io atmosphere and neutral and plasma torus

Rate equations for the column density of Io's atmosphere and the number density of neutral atoms and ions in the torus have been formulated in terms of surface sublimation and venting of volcanic gases, sputtering efficiency, thermal escape, and the plasma processes that take place in the torus which included electron impact ionization, charge exchange, and transport. In the limit of low volcanic activity, estimates of the densities can be obtained, and the baseline configuration that would exist in the absence of volcanic activity is found. Solution of the coupled steady state rate equations shows that the densities are sensitive, to a varying degree, to the level of Io volcanism. The steady state densities predicted by the model are consistent with a volcanic flux of no more than 10 to the 12th/sq cm per sec. This is significantly lower than the values obtained on the basis of resurfacing rates and appears to imply that surface lava flows play a major role in the resurfacing process.

Eviatar, Aharon↗

The effects of process parameters on the properties of manganese-rich carbonate precursors: A study of co-precipitation synthesis using semi-batch reactors

The synthesis of precursors for lithium- and manganese-rich xLi 2 MnO 3 ∙ (1-x)LiMO 2 (M = Ni, Mn, Co) (LMR-NMC) materials is generally carried out via co-precipitation using a continuously stirred tank reactor (CSTR) under steady-state conditions. But during the early stages of research (e.g., when screening compositional spaces of interest), using a CSTR in steady-state mode can be time consuming and wasteful. An alternative is to operate the reactor in semi-batch mode, which shortens reaction times and reduces the amount of waste. However, the effect of this mode on the product is not well documented. The present work investigates how several process variables affect the physical properties of Mn-rich NMC carbonate precursors prepared under semi-batch operation of a CSTR. The process variables examined are pH, ammonia concentration of feed solution, process temperature, stirring speed, and reaction time. Overall, the results can help guide research-scale production to support efficient development of Mn-rich carbonates for cathode oxides.

25 ENERGY STORAGE↗

The structure and appearance of winds from supercritical accretion disks. I - Numerical models

Equations for the structure and appearance of supercritical accretion disks and the radiation-driven winds which emanate from them are derived and solved by a steady-state hydrodynamic computer code with a relaxation technique used in stellar structure problems. The present model takes into account the mass of the accreting star, the total accretion rate, a generalization of the disk alpha parameter which accounts for heating by processes in addition to viscosity, and the ratio of the total luminosity to the Eddington luminosity. Solutions indicate that for accretion onto a hard-surfaced star, steady, optically thick winds result for even slightly supercritical accretion, and the object will appear as a supergiant star with a high mass loss rate and a nonblackbody spectrum. Winds from black hole accretion disks are expected to depend on the form of the accretion interior to the critical radius, possibly consisting of no ejection at all, a wind similar to that of a hard-surfaced star, or a column of material ejected from a hole in the accretion disk.

Meier, D. L.↗

Development of a Navier-Stokes algorithm for parallel-processing supercomputers

An explicit flow solver, applicable to the hierarchy of model equations ranging from Euler to full Navier-Stokes, is combined with several techniques designed to reduce computational expense. The computational domain consists of local grid refinements embedded in a global coarse mesh, where the locations of these refinements are defined by the physics of the flow. Flow characteristics are also used to determine which set of model equations is appropriate for solution in each region, thereby reducing not only the number of grid points at which the solution must be obtained, but also the computational effort required to get that solution. Acceleration to steady-state is achieved by applying multigrid on each of the subgrids, regardless of the particular model equations being solved. Since each of these components is explicit, advantage can readily be taken of the vector- and parallel-processing capabilities of machines such as the Cray X-MP and Cray-2.

Swisshelm, Julie M.↗

Development of an aerodynamics algorithm for parallel-processing supercomputers

An explicit flow solver, applicable to the hierarchy of model equations ranging from Euler to full Navier-Stokes, is combined with several techniques designed to reduce computational expense. The computational domain consists of local grid refinements embedded in a global coarse mesh, where the locations of these refinements are defined by the physics of the flow. Flow characteristics are also used to determine which set of model equations is appropriate for solution in each region, thereby reducing not only the number of grid points at which the solution must be obtained, but also the computational effort required to get that solution. Acceleration to steady-state is achieved by applying multigrid on each of the subgrids, regardless of the particular model equations being solved. Since each of these components is explicit, advantage can readily be taken of the vector- and parallel-processing capabilities of machines such as the Cray X-MP and Cray-2.

Swisshelm, Julie M.↗

The Effect of Stochastically Varying Creep Parameters on Residual Stresses in Ceramic Matrix Composites

Constituent properties, along with volume fraction, have a first order effect on the microscale fields within a composite material and influence the macroscopic response. Therefore, there is a need to assess the significance of stochastic variation in the constituent properties of composites at the higher scales. The effect of variability in the parameters controlling the time-dependent behavior, in a unidirectional SCS-6 SiC fiber-reinforced RBSN matrix composite lamina, on the residual stresses induced during processing is investigated numerically. The generalized method of cells micromechanics theory is utilized to model the ceramic matrix composite lamina using a repeating unit cell. The primary creep phases of the constituents are approximated using a Norton-Bailey, steady state, power law creep model. The effect of residual stresses on the proportional limit stress and strain to failure of the composite is demonstrated. Monte Carlo simulations were conducted using a normal distribution for the power law parameters and the resulting residual stress distributions were predicted.

processing↗