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At least 325 records · Page 18

Pressure tuning the lattice and optical response of silver sulfide

Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is a powerful tool for tuning the lattice and electronic structure of transition metal chalcogenides away from their pristine states. In this work, we systematically studied the in situ structural and optical behavior of silver sulfide (Ag{sub 2}S) under pressure by synchrotron X-ray diffraction and infrared spectroscopy measurements in a diamond anvil cell. Upon compression, Ag{sub 2}S undergoes structural symmetrization accompanied by a series of structural transitions while the crystallographic inequivalence of the two Ag sites is maintained. Electronically, pressure effectively tunes the ambient semiconducting Ag{sub 2}S into a metal at ∼22 GPa. Drude model analysis shows that the optical conductivity evolves significantly, reaching the highest value of 100 Ω{sup −1} cm{sup −1} at ∼40 GPa. Our results highlight the structural and electronic tunability of silver chalcogenides as a function of pressure and suggest the potential of Ag{sub 2}S as a platform for developing optical and opto-electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A control-oriented combustion model framework for compression ignition engines operating on low-reactivity fuel

This work focuses on zero-dimensional modeling of the heat release rate in a compression ignition engine operating on gasoline-like fuels. Due to the properties of gasoline, such as high volatility and longer ignition delay than diesel, the injection strategies can vary significantly from the operation with conventional diesel fuel. Different injection strategies are commonly used to achieve varying degrees of in-cylinder stratification in order to shape the combustion event and maximize efficiency. The proposed zero-dimensional combustion model was developed to account for the different stages in combustion caused by the fuel stratification. As the ignition delay model is an integral part of the entire combustion process and significantly affects the prediction accuracy, special attention has been paid to local phenomena influencing ignition delay. A one-dimensional spray model by Musculus and Kattke was employed in conjunction with a Lagrangian tracking approach in order to estimate the local air–fuel ratio within the spray tip, as a proxy for reactivity. The local air–fuel ratio, in-cylinder temperature and pressure were used in an integral fashion to estimate the ignition delay. Heat release rates were modeled using first-order non-linear differential equations. The proposed combustion model was validated against experimental data of a heavy-duty compression ignition engine with up to three injection events at mostly 1038 r/min and 14 bar brake mean effective pressure. Further validation of the model was carried out at other engine loads and speeds. Model prediction errors in CA50 of less than 1 °CA across all conditions were found. Modeling results of other combustion metrics such as combustion duration and indicated mean effective pressure are also highly satisfactory. In addition, the model has been shown to be capable of estimating the ringing intensity for most conditions.

Pamminger, Michael↗

Micrometoric Impact Effects: Peak Pressure versus Spectral Variation

At the Experimental Impact Laboratory at NASA Johnson Space Center, we have investigated the surface properties of asteroids caused by collisions in the mid-infrared (2.5 to 16 microns) by impacting forsterite and enstatite across a range of velocities (as predicted by the Nice Model) and at varying temperatures. The crystal structure in these minerals can be deformed by the shock wave from the impact as well as sheared into smaller particle sizes. Our current focus is on the differing effects between 2.3 and 2.6 km/sec, as well as the differences between a cold sample at -20C and a room temperature sample at 25C. We find that the spectral variation and crystal deformation varies non-linearly with the peak shock pressure.

Jensen, Elizabeth↗

Enterprise: a reduced-scale, flexible fuel, single-cylinder crosshead marine diesel research engine

A custom-built 1/10 scale, flexible-fuel, single-cylinder crosshead marine diesel research engine, dubbed the Enterprise, was designed and built as a platform for conducting marine lubricant research. The engine design was focused on maintaining lubricant boundary conditions similar those of full-scale engines. The Enterprise has a rated speed of 625 rpm to match the linear mean piston speed of full-scale marine engines with the reduced stroke and is capable of 18 bar brake mean effective pressure (BMEP). A high-swirl, uniflow-scavenged, two-stroke combustion system was designed to operate on either distillate diesel or heavy fuel oil (HFO). A hydraulic electronic unit injector (HEUI) fuel injection system with two injectors having customized three-hole nozzles provides fueling and is driven by the MAHLE Flexible ECU (MFE). Intake air boost is provided using a variable speed industrial air compressor along with closed-loop electronically controlled pressure regulation. Exhaust backpressure is also controlled electronically using an electro-pneumatic butterfly valve. A customized, miniaturized Hans Jensen Lubetronic cylinder lubrication system, which is capable of delivering 0.88 mg of cylinder oil per lubricator per injection to the ring pack at up to the maximum engine overspeed rating of 656 rpm, was commissioned for the Enterprise. Four independently temperature-controlled cooling zones are used to provide control of the liner temperature profile. The four coolant zones as well as the system oil and cylinder oil supplies are all controlled within 1°C for consistent thermal boundary conditions. The engine is instrumented with an in-cylinder pressure transducer as well as an inline torque transducer and numerous process temperature and pressure measurements to allow for detailed thermodynamic efficiency analysis, and experimental facilities allow for precise measurement of liner wear and characterization of deposits on the piston and rings. A radio telemetry system from IR Telemetrics is used to measure piston crown temperatures during engine operation. Engine design considerations and experimental facilities are described in detail, along with the results of a study investigating the impact of both system oil and cylinder oil viscosity on friction and efficiency. A test matrix was designed to compare base stock chemistries and viscosities for both system and cylinder oils. Experiments were completed using a fuel economy test protocol that was defined, consisting of repeating six speed/load operating conditions. An automated dynamometer control system was implemented to ensure repeatability of the test procedure. Preliminary testing indicated that the coolant, oil, and exhaust temperatures reach a steady state within 5 minutes of changing operating conditions. The system oil viscosity was found to have a significant impact on friction, with a reduction in viscosity from SAE 30 to SAE 20 resulting in over 6% reduction in friction mean effective pressure (FMEP) and over a 2% reduction in brake-specific fuel consumption (BSFC). Chemistry effects were also evident in the system and cylinder oils. Repeatability comparisons between the individual repetitions of each operating condition were used to ensure that results are statistically valid. For the initial cylinder oil viscosity experiments, observed changes were within the established/normal repeatability; ongoing experiments will determine whether improvements in boundary condition control will enable cylinder friction changes of this magnitude to be measured on this engine platform.

Kaul, Brian↗

High pressure polymorphs and amorphization of upconversion host material NaY(WO 4 ) 2

The pressure effect on the structural change of upconversion host material NaY(WO 4 ) 2 was studied in this paper by using in-situ synchrotron X-ray diffraction. A transition from the initial scheelite phase to the M-fergusonite phase occurs near 10 GPa, and another phase transition is found near 27.5 GPa, which could be an isostructural transition without symmetry change. The sample becomes amorphous when the pressure is fully released from high pressure. Finally, this work demonstrates the possibility of synthesizing various polymorph structures for non-linear optical applications with a high pressure, chemical doping, or strained thin-film nanostructure process.

36 MATERIALS SCIENCE↗

Effect of Pressure Gradients on the Initiation of PBX-9502 via Irregular (Mach) Reflection of Low Pressure Curved Shock Waves

In the instance of multiple fragment impact on cased explosive, isolated curved shocks are generated in the explosive. These curved shocks propagate and may interact and form irregular or Mach reflections along the interaction loci, thereby producing a single shock that may be sufficient to initiate PBX-9501. However, the incident shocks are divergent and their intensity generally decreases as they expand, and the regions behind the Mach stem interaction loci are generally unsupported and allow release waves to rapidly affect the flow. The effects of release waves and divergent shocks may be considered theoretically through a “Shock Change Equation”.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Performance of B. M. W. 185-Horsepower Airplane Engine

This report deals with the results of a test made upon a B. M. W. Engine in the altitude chamber of the Bureau of Standards, where controlled conditions of temperature and pressure can be made to simulate those of the desired altitude. A remarkably low value of fuel consumption - 041 per B. H. P. hour - is obtained at 1,200 revolutions per minute at an air density of 0.064 pound per cubic foot and a brake thermal efficiency of 33 per cent and an indicated efficiency of 37 per cent at the above speed and density. In spite of the fact that the carburetor adjustment does not permit the air-fuel ratio of maximum economy to be obtained at air densities lower than 0.064, the economy is superior to most engines tested thus far, even at a density lower than 0.064, the economies superior to most engines tested thus far, even at a density (0.03) corresponding to an altitude of 25,000 feet. The brake mean effective pressure even at full throttle is rather low. Since the weight of much of the engine is governed more by its piston displacement than by the power developed, a decreased mean effective pressure usually necessitates increased weight per horsepower. The altitude performance of the engine is, in general, excellent, and its low fuel consumption is the outstanding feature of merit.

Sparrow, S W↗

Wall interference and boundary simulation in a transonic wind tunnel with a discretely slotted test section

A computational simulation of a transonic wind tunnel test section with longitudinally slotted walls is developed and described herein. The nonlinear slot model includes dynamic pressure effects and a plenum pressure constraint, and each slot is treated individually. The solution is performed using a finite-difference method that solves an extended transonic small disturbance equation. The walls serve as the outer boundary conditions in the relaxation technique, and an interaction procedure is used at the slotted walls. Measured boundary pressures are not required to establish the wall conditions but are currently used to assess the accuracy of the simulation. This method can also calculate a free-air solution as well as solutions that employ the classical homogeneous wall conditions. The simulation is used to examine two commercial transport aircraft models at a supercritical Mach number for zero-lift and cruise conditions. Good agreement between measured and calculated wall pressures is obtained for the model geometries and flow conditions examined herein. Some localized disagreement is noted, which is attributed to improper simulation of viscous effects in the slots.

Al-Saadi, Jassim A.↗

Fragile-to-strong transition in liquid As 2 S 3 under pressure: The effect of melt metallization

The well-known classification of glass-forming melts into fragile and strong liquids has several notable exceptions, including water, silica, and certain phase-change materials (PCMs). These exceptional fluid systems exhibit a fragile-to-strong transition (FST) upon cooling: a transformation from a high-temperature liquid with fast atomic dynamics, low viscosity, and low flow activation energy, to a viscous supercooled melt with high energy barriers near the glass transition temperature T g . This behavior is critically important for non-volatile memories, photonic tensor cores, reconfigurable metamaterials, and other devices, that use PCMs, enabling nanosecond-scale crystallization in the fragile regime and long data retention in the strong regime near or below T g . A significant structural transformation is expected between these two viscosity regimes, along with a semiconductor-metal (SC-M) transition upon heating, driven by high internal pressure and associated density increase. By applying high external pressure to the canonical low-conducting chalcogenide melt As 2 S 3 , we observed both the FST and the SC-M transition, occurring simultaneously within the same domain of the P, T−phase space. These findings suggest that the FST is not limited to a few exceptional liquids but is a common phenomenon, at least in systems that exhibit melt metallization within specific regions of their P, T−phase diagrams.

first-principles molecular dynamics↗

Development of predictive capability of cycle-to-cycle variation in dual-fuel engines using supercomputing-based computational fluid dynamics

Cycle-to-cycle variation (CCV) in internal combustion engines is expected due to variabilities in operating conditions such as in-cylinder fuel stratification, mixing behavior, manifold air pressure, injection timing etc. Generally, engine experimental studies provide averaged quantities such as cylinder pressure, emissions, indicated mean effective pressure (IMEP) from multiple cycles and their CCV of IMEP, and CCV of cylinder pressure from consecutive cycles for a given test condition. Capturing 3D spatial distributions of relevant measures such as fuel-air mixing, temperature, turbulence levels and emissions from such experiments is challenging. Computational Fluid Dynamics (CFD) is an alternative to experiments, that can be used effectively to understand the spatial and temporal distributions of parameters of interest.Quantitative understanding of CCV in dual-fuel (DF) engines will accelerate the development and deployment of engines that provide fuel flexibility, economic advantage and emission compliance. Earlier work [1] performed to develop an understanding of the physics of CCV in large-bore, medium-speed, dual-fuel engines was partially successful. That effort entailed a sparse design of experiment (DOE) of full-cylinder geometry, closed-cycle, dual-fuel CFD simulations in which variabilities within some of the identified global parameters were exercised. The Coefficient of Variation (COV) of cylinder pressure was promising compared with experimental COV. This reinforced the understanding of which global parameters are significant contributors to CCV in DF combustion.The authors have used several high-performance supercomputing facilities in the process of developing predicting capability of CCV in large-bore engines, while operating in dual-fuel, diesel and natural gas (NG), combustion mode [1, 2]. In the current study CCV influencing parameters in a diesel-natural gas dual-fuel engine was studied using a 4th order DOE consisting of 137 concurrent cases. These full-geometry, closed-cycle, CFD simulations were run on the Mira supercomputing facility at the Argonne National Laboratory (ANL). This paper describes key learnings of that study along with a validation of the DOE. Further, the CCV prediction methodology, which is applicable to simulation-based design and testing, is described.

Gubba, Sreenivasa Rao↗

Impact of low reactivity fuel type on low load combustion, emissions, and cyclic variations of diesel-ignited dual fuel combustion

In this study, cyclic variations in dual fuel combustion with diesel ignition of three different low reactivity fuels (methane, propane, and gasoline) are examined under identical operating conditions. Experiments were performed on a single cylinder research engine (SCRE) at a low load of 3.3 bar brake mean effective pressure (BMEP). The start of injection (SOI) of diesel was varied from 280 to 330 absolute crank angle degrees (CAD). Engine speed, rail pressure, and boost pressure were held constant at 1500 rpm, 500 bar, and 1.5 bar, respectively. The energy substituted by the low reactivity fuel was fixed at 80% of the total energy input. It was found that diesel-methane (DM) and diesel-propane (DP) combustion were affected by diesel mixing to a greater extent than diesel-gasoline (DG) combustion due to the higher reactivity of gasoline. The magnitude of low temperature heat release was greatest for DG combustion followed by DM and DP combustion for all SOIs. The ignition delay for DG combustion was the shortest, followed by DM and DP combustion. DM and DP combustion exhibited more cyclic variations than DG combustion. Cyclic variations decreased for DM and DP combustion when SOI was advanced; however, DG combustion cyclic variations remained essentially constant for all SOIs. Earlier SOIs (280, 290, 300, and 310 CAD) for DM and (280, 290, and 300 CAD) for DP combustion indicated some prior-cycle effects on the combustion and IMEP (i.e. some level of determinism).

Engineering↗

Simulation of subnanosecond streamers in atmospheric-pressure air: Effects of polarity of applied voltage pulse

Results of simulation of subnanosecond streamer propagation in corona gap configuration, obtained in the framework of 2D fluid model, are presented. Effects related with the polarity of a voltage pulse applied to the stressed electrode are discussed. It is argued that these effects (dependence of the discharge current and propagation velocity on the polarity of applied voltage) observed in experiments can be attributed to the difference in initial (preceding the streamer formation) distributions of charged species inside the gap. This difference can be caused by preionization (at negative polarity) of the gas inside the discharge gap by runaway electrons. Calculated streamers have large widths (up to 1 cm) and move with velocities in the range of 10{sup 9}–10{sup 10 }cm s{sup −1}, similar to experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Pressure-temperature effects on knock with iso-octane and propane at various compression ratios and intake temperatures

Knock remains one of the main limitations for increased internal combustion engine efficiency. Recent trends in light-duty vehicles towards downsized, boosted engines increases the need for improving the understanding between fuel chemistry and thermodynamic effects contributing to knock. Previous studies have shown the importance of end-gas thermodynamic conditions on knock onset and behavior, with relationships to fuel chemistry illustrated. However, a complete understanding of how fuels allow access to higher engine loads and the governing physics behind end-gas knock under a wide range of thermodynamic conditions is still unclear. Experiments in this work improve this understanding with the use of three fuels (1) iso-octane, a low octane sensitivity (OS) fuel (2) a Co-Optima aromatic core fuel, which has similar research octane number (RON) yet significantly higher OS, and (3) propane, known for its knock resistance. Engine load sweeps are conducted with each fuel while maintaining a CA50 of 8 crank angle degrees after top dead center (°CA aTDCf). As load increases and knock onset is observed, spark is delayed to its knock limited spark advance (KLSA) allowing further increases in load until either one of two limits is reached; (1) CA50 retard limit (2) Peak cylinder pressure limit. Experiments are conducted at 40°C and 90°C intake temperature and at two distinct compression ratios (rc) 9.2:1 and 13.6:1. Two-zone zero-dimensional simulations were performed in Chemkin to extract end-gas pressure and temperature conditions through the combustion process for each experimental condition of interest. CA50 response as a function of engine load is compared for all experimental conditions and fuels, and a pressure-temperature (PT) trajectory analysis is conducted using constant volume ignition delay contours to explain the behavior of each fuel.

Dal Forno Chuahy, Flavio↗

Development of a medium-duty stoichiometric diesel micro-pilot natural gas engine

Fueling a compression-ignition engine with premixed natural gas offers the potential to combine a clean-burning, low-carbon fuel with a high compression ratio, high-efficiency engine. This work describes the development of a multi-cylinder 6.7 L diesel engine converted to run stoichiometric diesel micro-pilot/ natural gas premix combustion with a maximum diesel contribution target of 5% of the total fuel energy and a three-way catalyst aftertreatment system. Results are given by comparing the stoichiometric combustion to the diesel baseline operation, showing combustion characteristics differences, including the rapid two stage heat release. A high load output of 23 bar brake mean effective pressure was obtained with diesel-like brake thermal efficiency of 41%. This operating condition enabled a brake specific CO 2 emissions reduction of up to 25% when compared to diesel. It was observed that the low load output is limited by combustion stability when operated at stoichiometric condition. The three-way catalyst is observed to run at peak efficiency with an equivalence ratio of 1.01. Injector fouling was observed through the inspection of the nozzle and its internal parts, indicating carbon build-up similar to that seen in injector coking mechanisms. A comparison of the developed engine to other engine technologies is given, showing that the diesel micro-pilot natural gas engine performance is in good standing among other diesel and gas engines in the market.

Engineering↗

Influence of charge motion and compression ratio on the performance of a combustion concept employing in-cylinder gasoline and natural gas

The present paper represents a small piece of an extensive experimental effort investigating the dual-fuel operation of a light-duty spark ignited engine. Natural gas (NG) was directly injected into the cylinder and gasoline was injected into the intake-port. Direct injection (DI) of NG was used in order to overcome the power density loss usually experienced with NG port-fuel injection (PFI) as it allows an injection after intake valve closing. Having two separate fuel systems allows for a continuum of in-cylinder blend levels from pure gasoline to pure NG operation. The huge benefit of gasoline is its availability and energy density, whereas NG allows efficient operation at high load due to improved combustion phasing enabled by its higher knock resistance. Furthermore, using NG allowed a reduction of carbon dioxide emissions across the entire engine map due to the higher hydrogen-to-carbon ratio. Exhaust gas recirculation (EGR) was used to (a) increase efficiency at low and part-load operation and (b) reduce the propensity of knock at higher compression ratios (CRs) thereby enabling blend levels with greater amount of gasoline across a wider operating range. Two integral engine parameters, CR and in cylinder turbulence levels, were varied in order to study their influence on efficiency, emissions, and performance over a specific speed and load range. Increasing the CR from 10.5 to 14.5 allowed an absolute increase in indicated thermal efficiency of snore than 3% for 7.5% NG (2.5% gasoline) operation at 8 bar net indicated mean effective pressure (IMEP) and 2500 rpm. However, as anticipated, the achievable peak load at CR 14.5 with 100% gasoline was greatly reduced due to its lower knock resistance. The in cylinder turbulence level was varied by means of tumble plates (TPs) as well as an insert for the NG injector that guides the injection "spray" to augment the tumble motion. The usage of TPs showed a significant increase in EGR dilution tolerance for pure gasoline operation, however, no such impact was found for blended operation of gasoline and NG.

Sevik, James↗

Effect of Pressure and Temperature on Carbon Dioxide Reduction at a Plasmonically Active Silver Cathode

Here, carbon dioxide reduction at a plasmonically active silver cathode was investigated by varying the pressure and temperature at multiple applied potentials under both dark and illuminated conditions to understand the mechanism of selectivity changes driven by plasmon-enhanced electrochemical conversion. Carbon dioxide partial pressures (P Co 2 ) from 0.2 to 1 atm were studied during linear sweep voltammetry and chronoamperometry at -0.7, -0.9, and -1.1 V RHE . At a given applied overpotential the total current density increased with increasing P Co 2 in both the dark and the light, but there were significant differences in the Tafel behavior between dark and illuminated conditions. The reduction of CO 2 to carbon monoxide (CO) was found to have first-order behavior with respect to P Co 2 at all applied potentials in both the dark and the light, likely indicating no change in the rate-determining step upon illumination. Activity for the hydrogen (H 2 ) evolution reaction decreased with increasing P Co 2 at slightly different rates in the dark and the light at each applied potential, making it unclear if light is influencing CO or H 2 intermediate adsorbate coverage. Both formate and methanol production showed no dependence on P Co 2 under any conditions, but the true reaction orders may be masked by the much higher activity for CO and H 2 at the silver cathode. The investigation of product distribution with temperature at 14, 22, and 32°C at -0.7, -0.9, and -1.1 V RHE in both the dark and the light demonstrated that the selectivity changes observed upon illumination are not caused by local heating of the cathode surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗