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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Effects of Fuel Laminar Flame Speed Compared to Engine Tumble Ratio, Ignition Energy, and Injection Strategy on Lean and EGR Dilute Spark Ignition Combustion

Previously we show that fuels with higher laminar flame speed also have increased tolerance to EGR dilution. In this work, the effects of fuel laminar flame speed on both lean and EGR dilute spark ignition combustion stability were examined. Fuels blends of pure components (iso-octane, n-heptane, toluene, ethanol, and methanol) were derived at two levels of laminar flame speed. Each fuel blend was tested in a single-cylinder spark-ignition engine under both lean-out and EGR dilution sweeps until the coefficient of variance of indicated mean effective pressure increased above thresholds of 3% and 5%. The relative importance of fuel laminar flame speed to changes to engine design parameters (spark ignition energy, tumble ratio, and port vs. direct injection) was also assessed. Our results showed that fuel laminar flame speed can have as big an effect on lean or EGR dilute engine operation as engine design parameters, with the largest effects seen during EGR dilute operation and when changes were made to cylinder charge motion.

10 SYNTHETIC FUELS↗
DOE OSTI2015

Capturing Cyclic Variability in EGR Dilute SI Combustion using Multi-Cycle RANS

Dilute combustion is an effective approach to increase the thermal efficiency of spark-ignition (SI) internal combustion engines (ICEs). However, high dilution levels typically result in large cycle-to-cycle variations (CCV) and poor combustion stability, therefore limiting the efficiency improvement. In order to extend the dilution tolerance of SI engines, advanced ignition systems are the subject of extensive research. When simulating the effect of the ignition characteristics on CCV, providing a numerical result matching the measured average in-cylinder pressure trace does not deliver useful information regarding combustion stability. Typically Large Eddy Simulations (LES) are performed to simulate cyclic engine variations, since Reynold-Averaged Navier-Stokes (RANS) modeling is expected to deliver an ensemble-averaged result. In this paper it is shown that, when using RANS, the cyclic perturbations coming from different initial conditions at each cycle are not damped out even after many simulated cycles. As a result, multi-cycle RANS results feature cyclic variability. This allows evaluating the effect of advanced ignition sources on combustion stability but requires validation against the entire cycle-resolved experimental dataset. A single-cylinder GDI research engine is simulated using RANS and the numerical results for 20 consecutive engine cycles are evaluated for several operating conditions, including stoichiometric as well as EGR dilute operation. The effect of the ignition characteristics on CCV is also evaluated. Results show not only that multi-cycle RANS simulations can capture cyclic variability and deliver similar trends as the experimental data, but more importantly that RANS might be an effective, lower-cost alternative to LES for the evaluation of ignition strategies for combustion systems that operate close to the stability limit.

Scarcelli, Riccardo↗
DOE OSTI2023

Evaluation of Spray and Combustion Models for Simulating Dilute Combustion in a Direct-Injection Spark-Ignition Engine

Dilute combustion in spark-ignition engines has the potential to improve thermal efficiency by mitigating knock and by reducing throttling and wall heat losses. However, ignition and combustion processes can become unstable for dilute operation due to a lowered laminar flame speed, resulting in excessive cycle-to-cycle variability (CCV) of the combustion process. To compensate for the slower combustion in less reactive mixtures, a modified intake port geometry can be employed to generate a strong tumble flow in the cylinder and elevate turbulence levels around the spark plug, thereby promoting a faster transition to turbulent deflagration. Consequently, optimizing combustion chamber geometry and operating strategy is crucial to maximizing the benefits of using dilute combustion with enhanced in-cylinder turbulence across a wide range of operating conditions. Computational fluid dynamics (CFD) simulations can be utilized for virtual engine optimization tasks, but this would require the models to be truly predictive regarding the impact of changes to the engine design and operational parameters.In this study, multicycle large-eddy simulations (LES) are performed for a direct-injection spark-ignition engine to investigate the model performance in predicting engine combustion characteristics with respect to changes in the intake configuration. A tumble plate that blocks the lower part of the intake port inlet is used to vary the tumble. A set of CFD models that have been recently developed are employed, which takes into account the drag of nonspherical droplets, flash-boiling behavior of liquid sprays, spray-wall interaction, surrogate formulation of a research-grade E10 gasoline, and fast chemical kinetic solvers. Simulation results are compared to experimental engine data in terms of cylinder pressure, apparent heat release rate, mass fraction burned timing, and flame images. It is found that LES employing the state-of-the-art CFD models are capable of properly predicting the spray processes and reproducing the measured mean cylinder pressure for the case with the tumble plate. On the other hand, the LES over-predicts the combustion rate during the early combustion stage and under-estimates the CCV, and these discrepancies become larger when the tumble plate is removed.

computational fluid dynamics simulation↗
DOE OSTI2014

Multifold Seebeck increase in RuO{sub 2} films by quantum-guided lanthanide dilute alloying

Ab initio predictions indicating that alloying RuO{sub 2} with La, Eu, or Lu can increase the Seebeck coefficient α manifold due to quantum confinement effects are validated in sputter-deposited La-alloyed RuO{sub 2} films showing fourfold α increase. Combinatorial screening reveals that α enhancement correlates with La-induced lattice distortion, which also decreases the thermal conductivity twentyfold, conducive for high thermoelectric figures of merit. These insights should facilitate the rational design of high efficiency oxide-based thermoelectrics through quantum-guided alloying.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Application of High Performance Computing for Studying Cyclic Variability in Dilute Internal Combustion Engines

Combustion instabilities in dilute internal combustion engines are manifest in cyclic variability (CV) in engine performance measures such as integrated heat release or shaft work. Understanding the factors leading to CV is important in model-based control, especially with high dilution where experimental studies have demonstrated that deterministic effects can become more prominent. Observation of enough consecutive engine cycles for significant statistical analysis is standard in experimental studies but is largely wanting in numerical simulations because of the computational time required to compute hundreds or thousands of consecutive cycles. We have proposed and begun implementation of an alternative approach to allow rapid simulation of long series of engine dynamics based on a low-dimensional mapping of ensembles of single-cycle simulations which map input parameters to output engine performance. This paper details the use Titan at the Oak Ridge Leadership Computing Facility to investigate CV in a gasoline direct-injected spark-ignited engine with a moderately high rate of dilution achieved through external exhaust gas recirculation. The CONVERGE™ CFD software was used to perform single-cycle simulations with imposed variations of operating parameters and boundary conditions selected according to a sparse grid sampling of the parameter space. Using an uncertainty quantification technique, the sampling scheme is chosen similar to a design of experiments grid but uses algorithms designed to minimize the number of samples required to achieve a desired degree of accuracy. The simulations map input parameters to output metrics of engine performance for a single cycle, and by mapping over a large parameter space, results can be interpolated from within that space. This interpolation scheme forms the basis for a low-dimensional ‘metamodel’ (or model of a model) which can be used to mimic the dynamical behavior of corresponding high-dimensional simulations. Simulations of high-EGR spark-ignition combustion cycles within a parametric sampling grid were performed and analyzed statistically, and sensitivities of the physical factors leading to high CV are presented. With these results, the prospect of producing low-dimensional metamodels to describe engine dynamics at any point in the parameter space will be discussed. Additionally, modifications to the methodology to account for nondeterministic effects in the numerical solution environment are proposed.

Finney, Charles E. A.↗
DOE OSTI2019

FVCOM-plume – A Three-dimensional Lagrangian Outfall Plume Dilution and Transport Model for Dynamic Tidal Environments: Model Development

Although numerous steady-state effluent plume dilution models are in use, their application in tidal environments remains a challenge. Three-dimensional dynamic circulation models are also inadequate, often due to the lack of required resolution and simplifying assumptions. To overcome these limitations, we present FVCOM-plume—an outfall plume dilution and transport model that operates within the Finite Volume Coastal Ocean Model (FVCOM) framework. It provides simultaneous inclusion of near-field dilution and far-field plume transport processes. The near-field is based on UM3 model using Lagrangian Control Volume approach to compute buoyant plume trajectory and dilution from multiport diffusers. The far-field uses neutrally buoyant particles with point masses and the random walk method to solve unsteady advection-diffusion processes. A density kernel approach is used to compute concentrations at point locations and analyze far-field plume characteristics. The results demonstrate the ability of FVCOM-plume to simultaneously capture near-field and far-field effluent plume dynamics in tidal environments.

Plume Dilution Models↗
DOE OSTI2016

Effect of dilution on reaction properties and bonds formed using mechanically processed dilute thermite foils

Thermites have been used for over a century for joining applications and in this paper we present fully dense diluted thermite foils that react in a self-propagating manner and produce sufficient heat and molten braze to join aluminum-, magnesium-, and iron-based alloys. Al:NiO, Al:CuO, and Al:Cu2O thermite systems were systematically diluted with Ni or Cu to decrease the maximum reaction temperature and hence the amount of gas generated during the selfpropagating reactions. Velocities and mass ejection were measured for reactions within free-standing foils as a function of dilution. As a result, the dilution that leads to quenching during propagation within a bond is identified, and finally, Al:NiO:10wt%Ni and Al:CuO:40wt%Cu foils were used to demonstrate the ability to join aluminum-, magnesium-, and iron-based alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interparticle Interactions in Dilute Solutions of Polyelectrolyte Complex Micelles.

The application of dilute solutions of poly electrolyte complex (PEC) micelles for delivering therapeutic nucleic acids into disease sites has gained momentum. This Letter reports a detailed characterization of PEC micelles in dilute solutions including their internal structures and the determination of the interparticle interactions. The polymer concentration ranges from 0.1 to 0.5 wt %, a regime where micelle-micelle interactions are infrequent. We employ synchrotron small-angle X-ray scattering (SAXS) to simultaneously probe the morphology, internal structure, and radius of gyration (R-g) of the self-assemblies formed by charged diblock polyelectrolytes and homopolyelectrolytes. The emerging appearance of the structure factor in SAXS profiles with the increasing polymer concentration demonstrates the presence of the repulsive intermicellar correlations, which is further confirmed by the differences between the "reciprocal R-g" estimated by Guinier approximation and the "real space R-g" determined by pair distribution functions. We find that the soft corona chains tethered on the surface of phase-separated complex domains are compressed when micelles come close to the point where a hard-sphere interaction takes over. These findings contribute to the fundamental understanding of the structure and space-filling constraints in the complexation-driven self-assemblies and advance the rational design of cationic polymer-based nonviral gene delivery vectors.

Wu, Hao↗
DOE OSTI2016

Revealing the Molecular Structural Transformation of Hardwood and Softwood in Dilute Acid Flowthrough Pretreatment

To better understand the intrinsic recalcitrance of lignocellulosic biomass, the main hurdle to its efficient deconstruction, the effects of dilute acid flowthrough pretreatment on the dissolution chemistry of hemicellulose, cellulose, and lignin for both hardwood (e.g. poplar wood) and softwood (e.g. lodgepole pine wood) were investigated at temperatures of 200 °C to 270 °C and a flow rate of 25 mL/minute with 0.05% (w/w) H2SO4. Results suggested that the softwood cellulose was more readily to be degraded into monomeric sugars than that of hardwood under same pretreatment conditions. However, while the hardwood lignin was completely removed into hydrolysate, ~30% of the softwood lignin remained as solid residues under identical conditions, which was plausibly caused by vigorous C5-active recondensation reactions (C-C5). Unique molecular structural features that pronounced the specific recalcitrance of hardwood and softwood to dilute acid pretreatment were identified for the first time in this study, providing important insights to establish the effective biomass pretreatment.

biofuel↗
DOE OSTI2015

Identifying the dominant interstitial complex in dilute GaAsN alloys

Significant composition-dependent incorporation of N into non-substitutional sites is often reported for dilute GaAsN alloys. To distinguish (N-N){sub As}, (N-As){sub As}, and (As{sub Ga}-N{sub As}) complexes, we compare Rutherford backscattering spectrometry and nuclear reaction analysis (NRA) spectra with Monte Carlo-Molecular Dynamics simulations along the [100], [110], and [111] directions. For the Monte Carlo simulation, we assume that (N-N){sub As} is aligned along the [111] direction, while (N-As){sub As} is aligned along the [010] direction. The measured channeling NRA spectra exhibit the highest (lowest) yield in the [111] ([100]) directions. Similar trends are observed for simulations of (N-As){sub As}, suggesting that (N-As){sub As} is the dominant interstitial complex in dilute GaAsN.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Production of highly-enriched 134Ba for a reference material for isotope dilution mass spectrometry measurements

Isotope dilution mass spectrometry (IDMS) is an analytical technique capable of providing accurate and precise quantitation of trace isotope abundance and assay providing measurement uncertainties below 1 %. To achieve these low uncertainties, the IDMS method ideally utilizes chemically pure “spike” solutions that consist of a single highly enriched isotope that is well-characterized relating to the abundance of companion isotopes and concentration in solution. To address a current demand for accurate 137Cs/137Ba ratio measurements for “age” determination of radioactive 137Cs sources, Idaho National Laboratory (INL) is producing enriched 134Ba isotopes that are tobe used for IDMS spikes to accurately determine 137Ba accumulation from the decay of 137Cs. The final objective of this work it to provide a homogenous set of reference materials that the National Institute of Standards and Technology can certify as standard reference materials used for IDMS. The process that was developed at INL for the separation and isolation of Ba isotopes, chemical purification of the isotopes in solution, and the encapsulation of the materials will be described.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2017

Gel phase formation in dilute triblock copolyelectrolyte complexes

Assembly of oppositely charged triblock copolyelectrolytes into phase-separated gels at low polymer concentrations (<1% by mass) has been observed in scattering experiments and molecular dynamics simulations. Here we show that in contrast to uncharged, amphiphilic block copolymers that form discrete micelles at low concentrations and enter a phase of strongly interacting micelles in a gradual manner with increasing concentration, the formation of a dilute phase of individual micelles is prevented in polyelectrolyte complexation-driven assembly of triblock copolyelectrolytes. Gel phases form and phase separate almost instantaneously on solvation of the copolymers. Furthermore, molecular models of self-assembly demonstrate the presence of oligo-chain aggregates in early stages of copolyelectrolyte assembly, at experimentally unobservable polymer concentrations. Our discoveries contribute to the fundamental understanding of the structure and pathways of complexation-driven assemblies, and raise intriguing prospects for gel formation at extraordinarily low concentrations, with applications in tissue engineering, agriculture, water purification and theranostics.

36 MATERIALS SCIENCE↗