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DOE OSTI2018

The commissioning of the CUORE experiment: the mini-tower run

CUORE is a ton-scale experiment approaching the data taking phase in Gran Sasso National Laboratory. Its primary goal is to search for the neutrinoless double-beta decay in Te-130 using 988 crystals of tellurim dioxide. The crystals are operated as bolometers at about 10 mK taking advantage of one of the largest dilution cryostat ever built. Concluded in March 2016, the cryostat commissioning consisted in a sequence of cool down runs each one integrating new parts of the apparatus. The last run was performed with the fully configured cryostat and the thermal load at 4 K reached the impressive mass of about 14 tons. During that run the base temperature of 6.3 mK was reached and maintained for more than 70 days. An array of 8 crystals, called mini-tower, was used to check bolometers operation, readout electronics and DAQ. Results will be presented in terms of cooling power, electronic noise, energy resolution and preliminary background measurements.

Copello, Simone↗

DOE OSTI2020

Chemical and Structural Changes in Corn Stover After Ensiling: Influence on Bioconversion

Production of biofuels, bioproducts, and bioenergy requires a well-characterized, stable, and reasonably uniform biomass supply and well-established supply chains for shipping biomass from farm fields to biorefineries, while achieving year-round production targets. Preserving and stabilizing biomass feedstock during storage is a necessity for cost-effective and sustainable biofuel production. Ensiling is a common storage method used to preserve and even improve forage quality; however, the impact of ensiling on biomass physical and chemical properties that influence bioconversion processes has been variable. Our objective in this work was to determine the effects of ensiling on lignocellulosic feedstock physicochemical properties and how that influences bioconversion requirements. We observed statistically significant decreases (p < 0.05) in the content of two major structural carbohydrates (glucan and xylan) of 5 and 8%, respectively, between the ensiled and non-ensiled materials. We were unable to detect differences in sugar yields from structural carbohydrates after pretreatment and enzymatic hydrolysis of the ensiled materials compared to non-ensiled controls. Based on this work, we conclude that ensiling the corn stover did not change the bioconversion requirements compared to the control samples and incurred losses of structural carbohydrates. At the light microscopy level, ensiled corn stover exhibited little structural change or relocation of cell wall components as detected by immunocytochemistry. However, more subtle structural changes were revealed by electron microscopy, as ensiled cell walls exhibit ultrastructural characteristics such as wall delimitation intermediate between non-ensiled and dilute-acid-pretreated cell walls. These findings suggest that alternative methods of conversion, such as deacetylation and mechanical refining, could take advantage of lamellar defects and may be more effective than dilute acid or hot water pretreatment for biomass conversion of ensiled materials.

09 BIOMASS FUELS↗

DOE OSTI2019

Evidence for Microbial Mediated NO 3 - Cycling Within Floodplain Sediments During Groundwater Fluctuations

The capillary fringe is a subsurface terrestrial-aquatic interface that can be a significant hotspot for biogeochemical cycling of terrestrially derived organic matter and nutrients. However, pathways of nitrogen (N) cycling within this environment are poorly understood, and observations of temporal fluctuations in nitrate (NO 3 - ) concentrations lack the necessary resolution to partition between biotic or abiotic mechanisms. At discrete sampling points we measured NO 3 - , nitrite (NO 2 - ), ammonium (NH 4 + ), gaseous nitrous oxide (N 2 O), and nitrogen (N 2 ), and the corresponding isotopic composition of NO 3 - within floodplain sediments at Rifle, Colorado. Coincident with an annually reoccurring spring/summer excursion in groundwater elevation driven by snowmelt, we observed a rapid decline in NO 3 - followed by transient peaks in NO 2 - , at three depths (2, 2.5, and 3 m) below the ground surface. Isotopic measurements (δ 15 N and δ 18 O of NO 3 - ) suggest an immediate onset of biological N loss at 2 m. At 2.5 and 3 m, NO 3 - concentrations declined initially with no observable isotopic response, indicating dilution of NO 3 - as the NO 3 - -deficient groundwater rose, followed by denitrification after prolonged saturation. A simple Rayleigh model further supports this depth-dependent variability in the significance of actively fractionating mechanisms (i.e., NO 3 - reduction) relative to non-fractionating mechanisms (mixing and dilution). NO 3 - reduction was calculated to be responsible for 64% of the NO 3 - decline at 2 m, 28% at 2.5 and 47% at 3 m, respectively. Finally, by accounting for previous molecular and geochemical analysis at this site, and comparing the trajectories between Δδ 18 O: Δδ 15 N, we conclude that biological NO 3 - consumption at the two deeper and frequently saturated depths (2.5 and 3 m) can be attributed to heterotrophic denitrification. However, the Δδ 18 O: Δδ 15 N trajectory at the shallower, irregularly saturated site at 2 m shows a more complicated relationship best explained by the cyclic production of NO 3 - via aerobic oxidation, and consumption via NO 3 - reduction.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Comparing Calibration Algorithms for the Rapid Characterization of Pretreated Corn Stover Using Near-Infrared Spectroscopy

Rapid characterization of biomass composition is a key enabling technology for biorefineries—the ability to measure the chemical composition of biomass materials entering the biorefinery as well as the composition of key process intermediate streams would allow real-time process control and the development of robust models to predict process performance. The utility of near-infrared (NIR) spectroscopy for rapid characterization requires multivariate algorithms for building calibration models. The most prevalent algorithm used for building calibration models using NIR spectra is the linear modeling algorithm Partial Least Squares Regression (PLS). Nonlinear regression algorithms (which are typically more computationally intensive than linear modeling approaches) have gained popularity in recent years due to their ability to solve a wide variety of classification and regression problems and the dramatic increase in available computational resources. In this work, we demonstrate that a calibration model can predict the composition of corn stover process intermediate samples pretreated with three different treatments—hot water (HW), dilute acid (DA), and deacetylation followed by dilute acid (DDA). We quantitatively compare three different algorithms for building prediction models based on near-infrared spectroscopy—partial least squares (PLS), support vector machines (SVM), and random forests (RF). We demonstrate the utility of improving model performance by accounting for instrument performance variability using repeated measurements of standard materials (e.g., the “repeatability file” strategy) and investigate its performance with nonlinear regression techniques, and we discuss methods for quantifying the uncertainties of specific predictions among the three methods.

09 BIOMASS FUELS↗

DOE OSTI2017

Low-Temperature Combustion of High Octane Fuels in a Gasoline Compression Ignition Engine

Gasoline Compression Ignition (GCI) has been shown as one of the advanced combustion concepts that could potentially provide a pathway to achieve cleaner and more efficient combustion engines. Fuel and air in GCI are not fully premixed as compared to homogeneous charge compression ignition (HCCI) which is a completely kinetic-controlled combustion system. Therefore, the combustion phasing can be controlled by the time of injection, usually post injection in a multiple-injection scheme, to mitigate combustion noise. Gasoline fuels ignite more difficult than Diesel. The autoignition quality of gasoline can be indicated by research octane number (RON). Fuels with high octane tend to have more resistance to auto-ignition, hence more time for fuel-air mixing. In this study, three fuels, namely, Aromatic, Alkylate, and E30, with similar RON value of 98 but different hydrocarbon compositions were tested in a multi-cylinder engine under GCI combustion mode. Considerations of EGR, start of injection (SOI), and boost were investigated to study the sensitivity of dilution, local stratification, and reactivity of the charge, respectively, for each fuel. Combustion phasing was kept constant during the experiments to the changes in ignition and combustion process before and after 50% of the fuel mass is burned. Emission characteristics at different levels of EGR and lambda were revealed for all fuels with E30 having the lowest filter smoke number (FSN) and was also most sensitive to the change in dilution. Reasonably low combustion noise (< 90 dB) and stable combustion (COVIMEP < 3%) were maintained during the experiments. The second part of this paper contains visualization of the combustion process obtained from endoscope imaging for each fuel at selected conditions. Soot radiation signal from GCI combustion were strong during late injection, and also more intense at low EGR conditions. Furthermore, soot/temperature profiles indicated only the high-temperature combustion period, while cylinder pressure-based heat release rate (HRR) showed a two-stage combustion phenomenon.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2012

Enriched Iron(III)-Reducing Bacterial Communities are Shaped by Carbon Substrate and Iron Oxide Mineralogy

Iron (Fe) oxides exist in a spectrum of structures in the environment, with ferrihydrite widely considered the most bioavailable phase. Yet, ferrihydrite is unstable and rapidly transforms to more crystalline Fe(III) oxides (e.g., goethite, hematite), which are poorly reduced by model dissimilatory Fe(III)-reducing microorganisms. This begs the question, what processes and microbial groups are responsible for reduction of crystalline Fe(III) oxides within sedimentary environments? Further, how do changes in Fe mineralogy shape oxide-hosted microbial populations? To address these questions, we conducted a largescale cultivation effort using various Fe(III) oxides (ferrihydrite, goethite, hematite) and carbon substrates (glucose, lactate, acetate) along a dilution gradient to enrich for microbial populations capable of reducing Fe oxides spanning a wide range of crystallinities and reduction potentials. While carbon source was the most important variable shaping community composition within Fe(III)-reducing enrichments, both Fe oxide type and sediment dilution also had a substantial influence. For instance, with acetate as the carbon source, only ferrihydrite enrichments displayed a significant amount of Fe(III) reduction and the well known dissimilatory metal reducer Geobacter sp. was the dominant organism enriched. In contrast, when glucose and lactate were provided, all three Fe oxides were reduced and reduction coincided with the presence of fermentative (e.g., Enterobacter spp.) and sulfate-reducing bacteria (e.g., Desulfovibrio spp.). Thus, changes in Fe oxide structure and resource availability may shift Fe(III)-reducing communities between dominantly metalrespiring to fermenting and/or sulfate-reducing organisms which are capable of reducing more recalcitrant Fe phases. These findings highlight the need for further targeted investigations into the composition and activity of speciation-directed metal-reducing populations within natural environments.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Carbide Formation in Refractory Mo 15 Nb 20 Re 15 Ta 30 W 20 Alloy under a Combined High-Pressure and High-Temperature Condition

In this work, the formation of carbide with the concertation of carbon at 0.1 at.% in refractory high-entropy alloy (RHEA) Mo 15 Nb 20 Re 15 Ta 30 W 20 was studied under both ambient and high-pressure high-temperature conditions. The x-ray diffraction of dilute carbon (C)-doped RHEA under ambient pressure showed that the phases and lattice constant of RHEA were not influenced by the addition of 0.1 at.% C. In contrast, C-doped RHEA showed unexpected phase formation and transformation under combined high-pressure and high-temperature conditions by resistively employing the heated diamond anvil cell (DAC) technique. The new FCC_L1 2 phase appeared at 6 GPa and 809 °C and preserved the ambient temperature and pressure. High-pressure and high-temperature promoted the formation of carbides Ta 3 C and Nb 3 C, which are stable and may further improve the mechanical performance of the dilute C-doped alloy Mo 15 Nb 20 Re 15 Ta 30 W 20 .

36 MATERIALS SCIENCE↗

DOE OSTI2022

A Phase-Field Model for In-Space Manufacturing of Binary Alloys

The integrity of the final printed components is mostly dictated by the adhesion between the particles and phases that form upon solidification, which is a major problem in printing metallic parts using available In-Space Manufacturing (ISM) technologies based on the Fused Deposition Modeling (FDM) methodology. Understanding the melting/solidification process helps increase particle adherence and allows to produce components with greater mechanical integrity. We developed a phase-field model of solidification for binary alloys. The phase-field approach is unique in capturing the microstructure with computationally tractable costs. The developed phase-field model of solidification of binary alloys satisfies the stability conditions at all temperatures. The suggested model is tuned for Ni-Cu alloy feedstocks. We derived the Ginzburg-Landau equations governing the phase transformation kinetics and solved them analytically for the dilute solution. We calculated the concentration profile as a function of interface velocity for a one-dimensional steady-state diffuse interface neglecting elasticity and obtained the partition coefficient, k, as a function of interface velocity. Numerical simulations for the diluted solution are used to study the interface velocity as a function of undercooling for the classic sharp interface model, partitionless solidification, and thin interface.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Atomistic Assessment of Solute-Solute Interactions during Grain Boundary Segregation

Grain boundary solute segregation is becoming increasingly common as a means of stabilizing nanocrystalline alloys. Thermodynamic models for grain boundary segregation have recently revealed the need for spectral information, i.e., the full distribution of environments available at the grain boundary during segregation, in order to capture the essential physics of the problem for complex systems like nanocrystalline materials. However, there has been only one proposed method of extending spectral segregation models beyond the dilute limit, and it is based on simple, fitted parameters that are not atomistically informed. In this work, we present a physically motived atomistic method to measure the full distribution of solute-solute interaction energies at the grain boundaries in a polycrystalline environment. We then cast the results into a simple thermodynamic model, analyze the Al(Mg) system as a case study, and demonstrate strong agreement with physically rigorous hybrid Monte Carlo/molecular statics simulations. This approach provides a means of rapidly measuring key interactions for non-dilute grain boundary segregation for any system with an interatomic potential.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Diagnostic Evaluation of the IS1081-Targeted Real-Time PCR for Detection of Mycobacterium bovis DNA in Bovine Milk Samples

The ability of Mycobacterium bovis (M. bovis) to survive in bovine milk has emerged as a serious public health concern. The first objective of this study was to evaluate the diagnostic utility of IS1081-targeted real-time PCR for the detection of M. bovis DNA in different fractions of bovine milk. In a model study, bovine milk samples were spiked with serially diluted M. bovis BCG to investigate the detection limit of M. bovis DNA in whole milk and milk fractions (cream, pellet, and pellet + cream combined) using IS1081 real-time PCR. The assay was then used to detect M. bovis DNA in whole milk and milk fractions from naturally infected animals. The results showed that the IS1081 real-time PCR was more sensitive when detecting M. bovis DNA in the cream layer alone and cream + pellet combined compared to whole milk or the pellet alone. While PCR-based diagnostic assays for the detection of M. bovis in milk samples provide a quicker diagnostic tool for bovine tuberculosis, safe processing, and handling of M. bovis-infected milk samples remain a challenge and pose a human health risk. PrimeStore Molecular Transport Medium (MTM) has been shown to rapidly inactivate infected specimens while preserving nucleic acid for subsequent Molecular analysis. Therefore, the secondary objective of this study was to evaluate the ability of MTM to inactivate M. bovis BCG in spiked milk samples as well as its ability to preserve BCG DNA for the PCR assay. The results showed that MTM can successfully inactivate BCG alone or in spiked milk samples while preserving DNA for the PCR assay. The CT values of M. bovis BCG alone and spiked milk samples aliquoted in MTM and without MTM were similar at various dilutions. Taken together, our results indicate that using DNA extracted from the milk cream fraction alone or combined milk cream and pellet improved the recovery rate of M. bovis DNA in bovine milk samples. MTM has the potential to provide a safe and rapid sample processing tool for M. bovis inactivation in milk samples and preserve DNA for molecular diagnostics.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Effects of Synthesis Gas Concentration, Composition, and Operational Time on Tubular Solid Oxide Fuel Cell Performance

There is tremendous potential to utilize the exhaust gases and heat already present within combustion chambers to generate electrical power via solid oxide fuel cells (SOFCs). Variations in system design have been investigated as well as thorough examinations into the impacts of environmental conditions and fuel composition/concentration on SOFC performance. In an attempt to isolate the impacts of carbon monoxide and hydrogen concentration ratios within the exhaust stream, this work utilizes multi-temperature performance analyses with simulated methane combustion exhaust as fuel combined with dilute hydrogen baseline tests. These comparisons reveal the impacts of the complex reaction pathways carbon monoxide participates in when used as an SOFC fuel. Despite these complexities, performance reductions as a result of the presence of carbon monoxide are low when compared to similarly dilute hydrogen as a fuel. This provides further motivation for the continued development of SOFC-CHP systems. Stability testing performed over 80 h reveals the need for careful control of the operating environment as well as signs of carbon deposition. As a result of gas flow disruption, impacts of anode oxidation that may normally not hinder power production become significant factors in addition to coarsening of the anode material. Thermal management and strategies to minimize these impacts are a topic of future research.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Experimental Determination of Solubilities of Sodium Polyborates In MgCl 2 Solutions: Solubility Constant of Di-Sodium Hexaborate Tetrahydrate, and Implications For the Diagenetic Formation of Ameghinite

In this paper, solubility measurements were conducted for sodium polyborates in MgCl 2 solutions at 22.5 ± 0.5 °C. According to solution chemistry and XRD patterns, di-sodium tetraborate decahydrate (borax) dissolves congruently, and is the sole solubility-controlling phase, in a 0.01 mol/kg MgCl 2 solution: Na 2 B 4 O 7 •10H 2 O(cr) ⇌ 2Na + + 4B(OH) 4 + 2H + + H 2 O(l). However, in a 0.1 mol/kg MgCl 2 solution borax dissolves incongruently and is in equilibrium with di-sodium hexaborate tetrahydrate: 2Na 2 B 6 O 10 •4H 2 O(cr) + 2Na + + 23H 2 O(l) ⇌ 3Na 2 B 4 O 7 •10H 2 O(cr) + 2H + . In this study, the equilibrium constant (log K 0 ) for Reaction 2 at 25 °C and infinite dilution was determined to be –16.44 ± 0.13 (2σ) based on the experimental data and the Pitzer model for calculations of activity coefficients of aqueous species. In accordance with the log K 0 for Reaction 1 from a previous publication from this research group, and log K 0 for Reaction 2 from this study, the equilibrium constant for dissolution of di-sodium hexaborate tetrahydrate at 25 °C and at infinite dilution, Na 2 B 6 O 10 •4H 2 O(cr) + 10H 2 O(l) ⇌ 2Na + + 6B(OH) 4 - + 4H + was derived to be –45.42 ± 0.16 (2σ). The equilibrium constants determined in this study can find applications in many fields. For example, in the field of nuclear waste management, the formation of di-sodium hexaborate tetrahydrate in brines containing magnesium will decrease borate concentrations, making less borate available for interactions with Am(III). In the field of experimental investigations, based on the equilibrium constant for Reaction 2, the experimental systems can be controlled in terms of acidity around neutral pH by using the equilibrium assemblage of borax and di-sodium hexaborate tetrahydrate at 25 °C. As salt lakes and natural brines contain both borate and magnesium as well as sodium, the formation of sodium hexaborate tetrahydrate may influence the chemical evolution of salt lakes and natural brines. Di-sodium hexaborate tetrahydrate is a polymorph of the mineral ameghinite [chemical formula Na 2 B 6 O 10 •4H 2 O; structural formula NaB 3 O 3 (OH) 4 or Na 2 B 6 O 6 (OH) 8 ]. Finally, di-sodium hexaborate tetrahydrate could be a precursor of ameghinite and could be transformed when borate deposits are subject to diagenesis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Robo-AO Kepler Asteroseismic Survey. I. Adaptive Optics Imaging of 99 Asteroseismic Kepler Dwarfs and Subgiants

We used the Robo-AO laser adaptive optics (AOs) system to image 99 main sequence and subgiant stars that have Kepler -detected asteroseismic signals. Robo-AO allows us to resolve blended secondary sources at separations as close as ∼0.″15 that may contribute to the measured Kepler light curves and affect asteroseismic analysis and interpretation. We report eight new secondary sources within 4.″0 of these Kepler asteroseismic stars. We used Subaru and Keck AOs to measure differential infrared photometry for these candidate companion systems. Two of the secondary sources are likely foreground objects, while the remaining six are background sources; however, we cannot exclude the possibility that three of the objects may be physically associated. We measured a range of i ′-band amplitude dilutions for the candidate companion systems from 0.43% to 15.4%. We find that the measured amplitude dilutions are insufficient to explain the previously identified excess scatter in the relationship between asteroseismic oscillation amplitude and the frequency of maximum power.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Magnetic Field Amplification by a Plasma Cavitation Instability in Relativistic Shock Precursors

Abstract Plasma streaming instabilities play an important role in magnetic field amplification and particle acceleration in relativistic shocks and their environments. However, in the far shock precursor region where accelerated particles constitute a highly relativistic and dilute beam, streaming instabilities typically become inefficient and operate at very small scales when compared to the gyroradii of the beam particles. We report on a plasma cavitation instability that is driven by dilute relativistic beams and can increase both the magnetic field strength and coherence scale by orders of magnitude to reach near-equipartition values with the beam energy density. This instability grows after the development of the Weibel instability and is associated with the asymmetric response of background leptons and ions to the beam current. The resulting net inductive electric field drives a strong energy asymmetry between positively and negatively charged beam species. Large-scale particle-in-cell simulations are used to verify analytical predictions for the growth and saturation level of the instability and indicate that it is robust over a wide range of conditions, including those associated with pair-loaded plasmas. These results can have important implications for the magnetization and structure of shocks in gamma-ray bursts, and more generally for magnetic field amplification and asymmetric scattering of relativistic charged particles in plasma astrophysical environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Ducted Fuel Injection vs. Conventional Diesel Combustion: Extending the Load Range in an Optical Engine with a Four-Orifice Fuel Injector

Ducted fuel injection (DFI) is a technique to attenuate soot formation in compression ignition engines relative to conventional diesel combustion (CDC). The concept is to inject fuel through a small tube inside the combustion chamber to reduce equivalence ratios in the autoignition zone relative to CDC. DFI has been studied at loads as high as 8.5 bar gross indicated mean effective pressure (IMEP g ) and as low as 2.5 bar IMEP g using a four-orifice fuel injector. Across previous studies, DFI has been shown to attenuate soot emissions, increase NO x emissions (at constant charge dilution), and slightly decrease fuel conversion efficiencies for most tested points. This study expands on the previous work by testing 1.1 bar IMEPg (low-load/idle) conditions and 10 bar IMEPg (higher-load) conditions with the same four-orifice fuel injector, as well as examining potential causes of the degradations in NO x emissions and fuel conversion efficiencies. DFI and CDC are directly compared at each operating point in the study. At the low-load condition, the intake charge dilution was swept to elucidate the soot and NO x performance of DFI. The low-load range is important because it is the target of impending, more-stringent emissions regulations, and DFI is shown to be a potentially effective approach for helping to meet these regulations. The results also indicate that DFI likely has slightly decreased fuel conversion efficiencies relative to CDC. We find that the increase in NO x emissions with DFI is likely due to longer charge gas residence times at higher temperatures, which arise from shorter combustion durations and advanced combustion phasing relative to CDC.

42 ENGINEERING↗

DOE OSTI2024

Application of a Comprehensive Lagrangian–Eulerian Spark-Ignition Model to Different Operating Conditions

Increasing engine efficiency is essential to reducing emissions, which is a priority for automakers. Unconventional modes such as boosted and highly dilute operation have the potential to increase engine efficiency but suffer from stability concerns and cyclic variability. To aid engineers in designing ignition systems that reduce cyclic variability in such engine operation modes, reliable and accurate spark-ignition models are necessary. Here, in this article, a Lagrangian–Eulerian spark-ignition (LESI) model is used to simulate electrical discharge, spark channel elongation, and ignition in inert or reacting crossflow within a combustion vessel, at different pressures, flow speeds, and dilution rates. First the model formulation is briefly revisited. Then, the experimental and simulations setups are presented. The results showcase the model’s ability to predict the secondary circuit voltage, current, and power signals, in addition to the spark channel elongation, for the inert cases, or flame front growth, for the reacting cases. The results also compare simulation spark channel and flame growth plots to experimental Schlieren images at different instants in time. This work serves to highlight LESI’s ability to predict the characteristics of discharge and ignition across a variety of operating conditions.

42 ENGINEERING↗

DOE OSTI2015

Effects of gasoline reactivity and ethanol content on boosted premixed and partially stratified low-temperature gasoline combustion (LTGC)

Low-temperature gasoline combustion (LTGC), based on the compression ignition of a premixed or partially premixed dilute charge, can provide thermal efficiencies (TE) and maximum loads comparable to those of turbo-charged diesel engines, and ultra-low NOx and particulate emissions. Intake boosting is key to achieving high loads with dilute combustion, and it also enhances the fuel's autoignition reactivity, reducing the required intake heating or hot residuals. These effects have the advantages of increasing TE and charge density, allowing greater timing retard with good stability, and making the fuel Φ- sensitive so that partial fuel stratification (PFS) can be applied for higher loads and further TE improvements. However, at high boost the autoignition reactivity enhancement can become excessive, and substantial amounts of EGR are required to prevent overly advanced combustion. Accordingly, an experimental investigation has been conducted to determine how the tradeoff between the effects of intake boost varies with fuel-type and its impact on load range and TE. Five fuels are investigated: a conventional AKI=87 petroleum-based gasoline (E0), and blends of 10 and 20% ethanol with this gasoline to reduce its reactivity enhancement with boost (E10 and E20). Furthermore, a second zero-ethanol gasoline with AKI=93 (matching that of E20) was also investigated (CF-E0), and some neat ethanol data are also reported.

42 ENGINEERING↗

DOE OSTI2016

Cycle-to-Cycle Variations in Multi-Cycle Engine RANS Simulations

Reynolds-averaged Navier-Stokes (RANS) modeling is expected to deliver an ensemble-averaged result for the majority of turbulent flows. This could lead to the conclusion that multi-cycle internal combustion engine (ICE) simulations performed using RANS must exhibit a converging numerical solution after a certain number of consecutive cycles. However, for some engine configurations unsteady RANS simulations are not guaranteed to deliver an ensemble-averaged result. In this paper it is shown that, when using RANS modeling to simulate multiple engine cycles, the cycle-to-cycle variations (CCV) generated from different initial conditions at each cycle are not damped out even after a large number of cycles. A single-cylinder GDI research engine is simulated using RANS modeling and the numerical results for 20 consecutive engine cycles are evaluated for two specific operating conditions. One condition is characterized by stoichiometric operation and stable combustion (COVIMEP < 2%) and the other features dilute combustion resulting in misfire events and much higher COVIMEP. In both cases, multi-cycle RANS simulation results show cyclic variability. An in-depth analysis of the most significant physical and chemical quantities highlights that CCV are caused primarily by the variability of the in-cylinder flow. For stoichiometric combustion this does not greatly affect flame propagation, and the resulting fluctuations of the pressure traces are narrow. However, in the event of dilute combustion, the variability of the flow gains more importance, therefore delivering large cyclic fluctuations of in-cylinder pressure. Even though unsteady RANS simulations are not expected to predict as much variability in engine flows as LES, in particular for stable cases, they can still be used to capture typical combustion stability features in an internal combustion engine. This paper shows that the occurrence of CCV when using multi-cycle RANS modeling is not a numerical artifact or the effect of changes in the computational grid from cycle to cycle. Cold-flow analysis reveals that the variability of the simulated flow is intrinsic for the unsteady RANS approach and can only be damped out by increasing numerical viscosity, either by increasing the cell size or by adding up-winding. This is proved in a simplified non-ICE case such as the simulation of the vortex shredding from a cylinder in cross flow. Also, the effect of numerical viscosity on CCV is shown for multi-cycle engine simulations by using a simplified combustion model. Finally, it is shown that multi-cycle RANS can successfully predict the effect of changing specific engine parameters, such as the properties of the ignition system, on cyclic variability and combustion stability.

Scarcelli, Riccardo↗