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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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At least 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Computational Study of Droplet Dynamics in Dispersed Flow Film Boiling Regime in PWR Geometries

Dispersed flow film boiling (DFFB) regime is exhibited during low-flooding rate conditions following the postulated Loss-of-Coolant Accident (LOCA) in nuclear reactor flow channels. LOCA is a type of design-basis accident scenario, which is crucial for reactor design and licensing. Accurate models to predict the heat transfer in DFFB regime is critical for the reactor to maintain safety limits. The nominal operating linear heat rate is also set based on the maximum linear heat rate determined for a LOCA transient. It is understood that the behavior of entrained droplets in DFFB regime greatly affects the heat transfer by evaporating and desuperheating the surrounding steam. Furthermore, interaction with flow structures also aids in increasing the evaporation rate of entrained droplets. In order to quantify this enhancement in heat transfer, the size of droplets downstream of flow structures (Spacer Grids and Mixing Vanes) is of crucial importance. Thermal hydraulic analysis codes like COBRA-TF, CATHARE-3 and adopt a three-field equation model that allows them to model the droplet field separately. However, to ensure the accuracy of these field equations, various correlations and physical models are required. This paper proposes a method for characterizing the mean Sauter Diameter of droplets across spacer-grids and mixing vanes in PWR sub-channels using PHASTA - a high fidelity flow solver with multiphase capabilities using the level-set method. The PHASTA code is a finite element based computational fluid dynamics code designed for solving compressible and incompressible turbulent flows. It has been demonstrated to be massively scalable (up to 786,432 cores), which is crucial for simulating large realistic domains. The code incorporates the level-set method for interface tracking of the gas-liquid interface.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Induced Radioactivity Analysis for the NSRL Linac in China Using Monte Carlo Simulations and Gamma Spectroscopy - Paper 141

The Synchrotron Radiation Facility of the National Synchrotron Radiation Laboratory (NSRL) located in Hefei, China consists of a 200-MeV electron linear accelerator and an 800-MeV electronic storage ring. Constructed in 1989, the 200-MeV Electron linac is one of the earliest high-energy electron linear accelerators in China. The NSRL is a large-scale experiment device, having been operated more than twenty years, so it is hard to give a historical recount about the injection of NSRL Linac. Lower-energy electrons emitted from the accelerator electron gun are progressively accelerated to about 200 MeV in five acceleration tubes, and then are injected into the electron storage ring, reaching the final energy of 800 MeV. The linear accelerator is a traveling wave linear accelerator, consisting of pre-injection, four 6-m acceleration segment, some beam sensing elements, and focusing inserts. The electrons are accelerated in the acceleration tubes to 32 MeV, 74 MeV, 116 MeV, 158 MeV, respectively, and the electronic energy reaches 200 MeV at the end of the acceleration trip. A scraper is used for beam collimation and is located at the end of each acceleration tube, with a length that increases with the energy to provide sufficient collimation. The NSRL Linac was retired in 2012 due to a plan to upgrade the facility. The decommissioning produced many real challenges related to the methods to handle the large size of the device and the time required to store structural materials until the radioactivity is reduced in the waste repository. These problems should be solved as soon as possible in order for the upgrade to proceed smoothly. At present, no prior decommissioning experience existed in China on such a high-energy electron linear accelerator. Therefore, the decommission project provided an opportunity to study and evaluate the challenges, in particular, involving the induced radioactivity for the purposes of radiation protection. For a well-shielded accelerator facility, the induced radioactivity is an important source of radiation for people who perform the decommissioning. In addition, information on the level of induced radioactivity is needed for disposing of the retired accelerator materials. Therefore it is significant to predict such radioactivity level accurately. However, the induced radioactivity study for such type high-energy electron linear accelerator is very seldom. Particle accelerators that operate at energy greater than 10 MeV will produce induced radioactivity due to well-known photonuclear interactions. However, the assessment of such as induced radioactivity of large-scale installations is a time-consuming process. Experimental methods are time-consuming and require special radiation safety measures to protection the investigators. On the other hand, empirical formula cannot yield sufficiently accurate results. Therefore, Monte Carlo simulation method is the primary means to study such problems. In the decommissioning process of the NSRL Linac, the induced radioactivity assessment will be based on Monte Carlo simulation method as the main auxiliary means to expand a series of studies. (authors)

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Finite Element Simulation and Optimization of Gas-Quenching Process for Tool Steels

Various gas-quenching processes, including marquenching, were investigated to optimize gas-quenching processes in terms of distortion and hardness by means of numerical and experimental analyses. The temperature, microstructure, hardness, and distortion during the various gas-quenching processes of a tool steel block were simulated using a finite element method based on a coupled thermo-metallurgical–mechanical model. The predicted temperature, hardness, and distortion agreed well with the experimental data. The tool steel block (200 × 150 × 70 mm{sup 3}) quenched under 10 bar pressure of nitrogen gas (Case 2) had higher hardness due to the higher martensite fraction and larger distortion owing to the higher thermal stress induced by faster cooling, compared to the block quenched under 2 bar pressure of nitrogen gas (Case 1). The tool steel block marquenched under 10 bar pressure of nitrogen gas interrupted by isothermal holding at 500 °C (Case 3) had 30% smaller distortion with a negligible loss of hardness compared to Case 2. Furthermore, the simulation results could provide an optimized process condition to minimize distortion of the gas-quenched tool steel block while satisfying the hardness requirement.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Optimized Gating System for Steel Castings

Computer modeling using a commercially available software package was used to explore the optimization of filling systems based on the relatively new concepts of avoiding entrainment of air bubbles and oxides by avoiding surface turbulence. The test casting was based on a pattern for a traditional top poured test bar, whose cross section was a tri-lobed clover-like shape. The study illustrates clearly that the detailed design of the filling system has a major influence on the conditions for defect generation during filling. Traditional steel casting systems using the widely popular assembly of preformed refractory tubes were found to behave poorly. Systems were demonstrated which were capable of delivering highly controlled filling behavior. The latest systems to be developed employed (1) a naturally pressurized filling system and (2) the use of filters placed flush on the top of the runner to act as bubble diverters, together with (3) terminal spin traps. These novel filling systems demonstrated excellent performance in simulation, in agreement with practical experience of the capability (of the trident gate in particular) to produce, for the first time in the history of casting, defect-free castings on a routine basis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ettringite hysteresis under sorption from molecular simulations

Highlights: • Hybrid Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations are performed. • Anisotropic large strain coefficient of crystal shrinkage of ettringite is provided. • Entropy increases when ettringite converts into metaettringite. • Sorption-induced stress may lead to columns collapse upon drying. • H-bonds involving OH groups in columns play a role in hysteresis. The response of ettringite under sorption is critical for the utilization of this mineral as an energy storage material and to understand the concrete durability problems associated with ettringite formation. We report molecular simulations directly sampling the osmotic ensemble to understand the sorption processes and structural changes in ettringite-metaettringite transition. Desorption branch and sorption-induced volume changes from simulations agree with the experiments. The structural changes at low relative humidity are analyzed, revealing for the first time details of metaettringite structure. The reversibility under sorption observed experimentally is captured by simulation in the ettringite domain. The reversibility in the conversion of metaettringite into ettringite is not captured by the direct simulations in the osmotic ensemble due to the large volume changes associated with ettringite desorption. Finally, we discuss the role of hydrogen bonds on the hysteresis in ettringite.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Coupling scales for modelling heavy metal vaporization from municipal solid waste incineration in a fluid bed by CFD

Highlights: • A CFD two-scale model is formulated to simulate heavy metal vaporization from waste incineration in fluidized beds. • MSW particle is modelled with the macroscopic particle model. • Influence of bed dynamics on HM vaporization is included. • CFD predicted results agree well with experimental data reported in literature. • This approach may be helpful for fluidized bed reactor modelling purposes. - Abstract: Municipal Solid Waste Incineration (MSWI) in fluidized bed is a very interesting technology mainly due to high combustion efficiency, great flexibility for treating several types of waste fuels and reduction in pollutants emitted with the flue gas. However, there is a great concern with respect to the fate of heavy metals (HM) contained in MSW and their environmental impact. In this study, a coupled two-scale CFD model was developed for MSWI in a bubbling fluidized bed. It presents an original scheme that combines a single particle model and a global fluidized bed model in order to represent the HM vaporization during MSW combustion. Two of the most representative HM (Cd and Pb) with bed temperatures ranging between 923 and 1073 K have been considered. This new approach uses ANSYS FLUENT 14.0 as the modelling platform for the simulations along with a complete set of self-developed user-defined functions (UDFs). The simulation results are compared to the experimental data obtained previously by the research group in a lab-scale fluid bed incinerator. The comparison indicates that the proposed CFD model predicts well the evolution of the HM release for the bed temperatures analyzed. It shows that both bed temperature and bed dynamics have influence on the HM vaporization rate. It can be concluded that CFD is a rigorous tool that provides valuable information about HM vaporization and that the original two-scale simulation scheme adopted allows to better represent the actual particle behavior in a fluid bed incinerator.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Femtosecond laser-plasma interaction with prepulse-generated liquid metal micro-jets

Ultra-short laser pulse interaction with a micro-structured surface of a melted metal is a promising source of hard X-ray radiation. Micro-structuring is achieved by a weak prepulse which produces narrow high density micro-jets. Interaction of the main laser pulse with such jets is shown to be a 100 times more efficient X-ray source than ordinary metal targets. This paper presents the results of optical and x-ray studies of laser-plasma interaction physics under such conditions supported by numerical simulations of fast electron generation.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2012

The physical phenomena accompanying the sub-nanosecond high-voltage pulsed discharge in nitrogen

Results of one-dimensional Particle-in-Cell numerical simulations of mechanism of sub-nanosecond high-voltage pulsed discharge in nitrogen are presented. It is shown that the decrease of the cathode-anode gap changes drastically both the discharge dynamics and mechanism of runaway electrons generation responsible for the discharge initiation. It is obtained that the virtual cathode exists only during tens of picoseconds for short gaps. The conditions when the virtual cathode is not formed are found. Also, the comparison between the experimental [Rybka et al., Tech. Phys. Lett. 38, 653 (2012)] and simulation results indicates the dominant role of the virtual cathode in termination of runaway electrons generation and on separate nature of emission sources from the cathode surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Preparations for a high gradient inverse free electron laser experiment at Brookhaven national laboratory

Preparations for an inverse free electron laser experiment at Brookhaven National Laboratory's Accelerator Test Facilty are presented. Details of the experimental setup including beam and laser transport optics are first discussed. Next, the driving laser pulse structure is investigated and initial diagnostics are explored and compared to simulations. Finally, planned improvements to the experimental setup are discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Infrared laser induced rupture of thin liquid films on stationary substrates

We studied the deformation and destabilization of thin liquid films on stationary substrates via infrared illumination. The film thickness evolution was measured using interference microscopy. We developed numerical models for the temperature evolution and the liquid redistribution. The substrate wettability is explicitly accounted for via a phenomenological expression for the disjoining pressure. We systematically measured the film thinning- and rupture dynamics as a function of laser power, which are accurately reproduced by the simulations. While smaller laser spots generally lead to shorter rupture times, the latter can become independent of the spotsize for very narrow beams due to capillary suppression.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Trapping of electrons in troughs of self generated electromagnetic standing waves in a bounded plasma column

Observations and measurements are reported on electron trapping in troughs of self-generated electromagnetic standing waves in a bounded plasma column confined in a minimum-B field. The boundaries are smaller than the free space wavelength of the waves. Earlier work of researchers primarily focused upon electron localization effects induced by purely electrostatic perturbation. We demonstrate the possibility in the presence of electromagnetic standing waves generated in the bounded plasma column. The electron trapping is verified with electrostatic measurements of the plasma floating potential, electromagnetic measurements of the wave field profile, and optical intensity measurements of Argon ionic line at 488 nm. The experimental results show a reasonably good agreement with predictions of a Monte Carlo simulation code that takes into account all kinematical and dynamical effects in the plasma in the presence of bounded waves and external fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Probing temperature gradients within the GaN buffer layer of AlGaN/GaN high electron mobility transistors with Raman thermography

We demonstrate the ability of confocal Raman thermography using a spatial filter and azimuthal polarization to probe vertical temperature gradients within the GaN buffer layer of operating AlGaN/GaN high electron mobility transistors. Temperature gradients in the GaN layer are measured by using offset focal planes to minimize the contribution from different regions of the GaN buffer. The measured temperature gradient is in good agreement with a thermal simulation treating the GaN thermal conductivity as homogeneous throughout the layer and including a low thermal conductivity nucleation layer to model the heat flow between the buffer and substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: Effects of steric hindrance and ring formation

In this paper we develop a thermodynamic perturbation theory for two site associating fluids which exhibit bond cooperativity (system energy is non-pairwise additive). We include both steric hindrance and ring formation such that the equation of state is bond angle dependent. Here, the bond angle is the angle separating the centers of the two association sites. As a test, new Monte Carlo simulations are performed, and the theory is found to accurately predict the internal energy as well as the distribution of associated clusters as a function of bond angle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Three-body interactions in complex fluids: Virial coefficients from simulation finite-size effects

A simulation technique is described for quantifying the contribution of three-body interactions to the thermodynamical properties of coarse-grained representations of complex fluids. The method is based on a new approach for determining virial coefficients from the measured volume-dependent asymptote of a certain structural function. By comparing the third virial coefficient B{sub 3} for a complex fluid with that of an approximate coarse-grained model described by a pair potential, three body effects can be quantified. The strategy is applicable to both Molecular Dynamics and Monte Carlo simulation. Its utility is illustrated via measurements of three-body effects in models of star polymers and in highly size-asymmetrical colloid-polymer mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Experimental study for the feasibility of using hard x-rays for micro-XRF analysis of multilayered metals

Application of polycapillary optical systems to improve a spatial resolution for the μ-XRF analysis by focusing a primary x-ray beam and/or by collecting fluorescence emission is well known. The challenge is to optimize them in combination with x-ray source for exciting K-lines above 20 keV that could allow characterization of many materials composed by heavy elements. To pursue this goal, preliminary studies on possible polycapillary lens employment in thickness determination for multilayer metal materials will be presented in this work. In this paper, the results of first attempts of integrating PyMCA with Monte Carlo simulation code (XMI-MSIM) that takes into account the secondary fluorescence effects on quantitative analysis of homogeneous matrices, in particular, metal alloys, are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2014

An investigation of the dynamic separation of spot welds under plane tensile pulses

We performed ultra-high-speed tests for purely opening spot welds using plane tensile pulses. A gun system generated a parallel impact of a projectile plate onto a welded plate. Induced by the interactions of the release waves, the welded plate opened purely under the plane tensile pulses. We used the laser velocity interferometer system for any reflector to measure the velocity histories of the free surfaces of the free part and the spot weld of the welded plate. We then used a scanning electron microscope to investigate the recovered welded plates. We found that the interfacial failure mode was mainly a brittle fracture and the cracks propagated through the spot nugget, while the partial interfacial failure mode was a mixed fracture comprised ductile fracture and brittle fracture. We used the measured velocity histories to evaluate the tension stresses in the free part and the spot weld of the welded plate by applying the characteristic theory. We also discussed the different constitutive behaviors of the metals under plane shock loading and under uniaxial split Hopkinson pressure bar tests. We then compared the numerically simulated velocity histories of the free surfaces of the free part and the spot weld of the welded plate with the measured results. The numerical simulations made use of the fracture stress criteria, and then the computed fracture modes of the tests were compared with the recovered results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Free energy of RNA-counterion interactions in a tight-binding model computed by a discrete space mapping

The thermodynamic stability of a folded RNA is intricately tied to the counterions and the free energy of this interaction must be accounted for in any realistic RNA simulations. Extending a tight-binding model published previously, in this paper we investigate the fundamental structure of charges arising from the interaction between small functional RNA molecules and divalent ions such as Mg{sup 2+} that are especially conducive to stabilizing folded conformations. The characteristic nature of these charges is utilized to construct a discretely connected energy landscape that is then traversed via a novel application of a deterministic graph search technique. This search method can be incorporated into larger simulations of small RNA molecules and provides a fast and accurate way to calculate the free energy arising from the interactions between an RNA and divalent counterions. The utility of this algorithm is demonstrated within a fully atomistic Monte Carlo simulation of the P4-P6 domain of the Tetrahymena group I intron, in which it is shown that the counterion-mediated free energy conclusively directs folding into a compact structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A new dipolar potential for numerical simulations of polar fluids on the 4D hypersphere

We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three-dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The point dipoles are constrained to remain tangent to the sphere and their interactions are derived from the basic laws of electrostatics in this geometry. The dipole-dipole potential has two singularities which correspond to the following boundary conditions: when a dipole leaves the northern hemisphere at some point of the equator, it reappears at the antipodal point bearing the same dipole moment. We derive all the formal expressions needed to obtain the thermodynamic and structural properties of a polar liquid at thermal equilibrium in actual numerical simulation. We notably establish the expression of the static dielectric constant of the fluid as well as the behavior of the pair correlation at large distances. We report and discuss the results of extensive numerical Monte Carlo simulations for two reference states of a fluid of dipolar hard spheres and compare these results with previous methods with a special emphasis on finite size effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗