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At least 199 records · Page 11

Relevant biochar characteristics influencing compressive strength of biochar-cement mortars

To counteract the contribution of CO 2 emissions by cement production and utilization, biochar is being harnessed as a carbon-negative additive in concrete. Increasing the cement replacement and biochar dosage will increase the carbon offset, but there is large variability in methods being used and many researchers report strength decreases at cement replacements beyond 5%. This work presents a reliable method to replace 10% of the cement mass with a vast selection of biochars without decreasing ultimate compressive strength, and in many cases significantly improving it. By carefully quantifying the physical and chemical properties of each biochar used, machine learning algorithms were used to elucidate the three most influential biochar characteristics that control mortar strength: initial saturation percentage, oxygen-to-carbon ratio, and soluble silicon. These results provide additional research avenues for utilizing several potential biomass waste streams to increase the biochar dosage in cement mixes without decreasing mechanical properties.

97 MATHEMATICS AND COMPUTING↗

Polymorphism of gold under laser-based ramp compression to 690 GPa

The high-pressure behavior and polymorphism of gold has attracted strong recent interest from theory as well as from both static and dynamic experiments. In this study, gold was dynamically ramp-compressed to 690 GPa via laser ablation using the Omega Laser Facility (U. Rochester) in order to investigate the stability regions of this noble metal's polymorphs. Here, stresses were determined from measurements of surface or interface velocities by laser interferometry. In situ X-ray diffraction was carried out to constrain the structure and density. The ambient face-centered-cubic (fcc) phase was observed at 162 GPa, followed by a mixed phase region consisting of the fcc and body-centeredcubic (bcc). The presence of only the bcc phase was observed between 377 and 690 GPa. Our results are consistent with recent shock compression experiments and demonstrate that gold transforms to the bcc phase under conditions of both ramp and shock loading.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Impact of Resolution on Double-detonation Models for Type Ia Supernovae

Abstract Thermonuclear supernovae are the result of the violent unbinding of a white dwarf (WD), but the precise nature of the explosion mechanism(s) is a matter of active debate. To this end, several specific scenarios have been proposed to explain the observable traits of Type Ia supernovae. A promising pathway is the double-detonation scenario, where a WD accretes a shell of helium-rich material from a companion and a detonation in the resulting helium shell is the primary cause of the explosion. Through a set of two-dimensional grid-based simulations of this scenario we clearly distinguish three phases of evolution: external helium-rich detonation, core compressive heating, and a final core carbon burn. Though final disruption of the whole system is achieved at all resolutions, only models with minimum resolutions of 4 km and better exhibit all three phases. Particularly, core compression detonation is only observed for higher resolutions, producing qualitatively different nucleosynthetic outcomes. We identify the effect of finer spatial resolution on the mixing of hot silicon at the interface between the detonating helium layer and the underlying C/O WD as a primary driver of these dynamic differences.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical modeling of hydrogen mixing in a direct-injection engine fueled with gaseous hydrogen

Hydrogen is considered as one of the most promising options to achieve effective decarbonization of the energy and transportation sectors. As such, it has recently been receiving increasing attention because of its promising potential as an energy carrier for advanced energy and propulsion systems. With a focus on internal combustion engines, direct injection (DI) of gaseous hydrogen during the compression stroke offers great potential for high engine efficiency and specific power while reducing the risk of backfiring and pre-ignition issues. Therefore, many experimental and numerical efforts have recently been dedicated to understanding the physical and chemical behaviors of hydrogen in engine during mixing and combustion. This study focuses on computational fluid dynamics (CFD) modeling of the hydrogen DI process in a hydrogen optical research engine. Under the conditions studied, gaseous hydrogen is injected into the combustion chamber via a centrally located single-hole injector at a pressure of 100 bar. Two configurations, namely low-and high-tumble, are investigated to understand the impact of different in-cylinder flow patterns on the fuel-air mixture preparation. Simulations are carried out using the commercial CFD software CONVERGE. Here, the in-cylinder turbulence is modeled with an unsteady Reynolds-averaged Navier-Stokes (URANS) formulation closed by the renormalization group (RNG) k-ε model. Several numerical methods and model constants, including but not limited to turbulent Schmidt number, are evaluated. The numerical results are systematically compared against experimental measurements of velocity and hydrogen concentration fields on the vertical center plane to assess the performance of the CFD model, unveil the physics of hydrogen mixing, and establish best practices for modeling hydrogen DI under relatively high injection pressure conditions.

33 ADVANCED PROPULSION SYSTEMS↗

Embedded Fluidic Sensing and Control with Soft Open‐Cell Foams

Abstract The synthesis of soft matter intelligence with circuit‐driven logic has enabled a new class of robots that perform complex tasks or conform to specialized form factors in unique ways that cannot be realized through conventional designs. Translating this hybrid approach to fluidic systems, the present work addresses the need for sheet‐based circuit materials by leveraging the innate porosity of foam—a soft material—to develop pneumatic components that support digital logic, mixed‐signal control, and analog force sensing in wearables and soft robots. Analytical tools and experimental techniques developed in this work serve to elucidate compressible gas flow through porous sheets, and to inform the design of centimeter‐sized foam resistors with fluidic resistances on the order of 10 9 Pa s m −3 . When embedded inside soft robots and wearables, these resistors facilitate diverse functionalities spanning both sensing and control domains, including digital logic using textile logic gates, digital‐to‐analog signal conversion using ladder networks, and analog sensing of forces up to 40 N via compression‐induced changes in resistance. By combining features of both circuit‐based and materials‐based approaches, foam‐enabled fluidic circuits serve as a useful paradigm for future hybrid robotic architectures that fully embody the sensing and computing capabilities of soft fluidic materials.

Rajappan, Anoop↗

Highly-Efficient Microemulsion-Based Absorption Chillers for HVAC Application

Air conditioning is a necessity to achieve a comfortable, habitable home or office for many places in US. However, vapor compression air conditioners are largely made with chlorofluorocarbon refrigerants, or CFCs, which create problems for a world grappling with climate change. In addition, vapor compression air conditioners are driven by electricity. Cooling and heating represent one-third of building electrical energy consumption in US. An absorption chiller is different to vapor compression chillers or air conditioners because it doesn’t use conventional refrigerants, like CFC. Instead, they may use water as the refrigerant which is mixed with safe and nontoxic absorbents. The research performed in this project advanced the understanding of absorption cooling technology and its application in HVAC. Various technologies were explored to improve the performance of the desorber and absorber components in the absorption chillers.

42 ENGINEERING↗

Ion Solvation-Driven Liquid–Liquid Phase Separation in Divalent Electrolytes with Miscible Organic Solvents

Liquid–liquid phase separation (LLPS) is a common phenomenon, but LLPS of electrolytes prepared in miscible organic solvents is rarely documented. Here we report four cases of LLPS that occur in MgTFSI 2 or ZnTFSI 2 electrolytes in mixed organic solvents. The conditions for the formation of this LLPS share four common features: cations with high charge density; bulky anions with low charge density; a strongly coordinating solvent with high compressibility; and a relatively weak coordinating solvent with low relative permittivity and high mobility. With these conditions, the cations tend to draw the strongly coordinating solvents together to form a densely-packed, energetically-favorable ion solvation region, while the cosolvents with low relative permittivity tend to repel ions to form an ion-depleted dilute phase. Furthermore, in the dilute upper layer with more than 300 solvent molecules per cation, ion pairs and large ion aggregates are clearly evidenced, due to the incomplete screening of electrostatic interactions by the weaker cosolvent. This LLPS driven by ion solvation may be more common in multivalent electrolytes and is a design consideration with mixed solvents that should not be overlooked.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulation of a rapid compression machine for evaluation of ignition chemistry and soot formation using gasoline/ethanol blends

Due to the projected decline of demand for gasoline in light duty engines and the advent of ethanol as a green fuel, the use of gasoline/ethanol blend fuels in heavy duty applications are being investigated as they are projected to have lower cost and lower lifecycle green house gas (GHG) emissions. In heavy duty engines, the primary mode of combustion is mixing controlled combustion where wide range of mixture conditions (equivalence ratio) exist. Soot emissions of these fuels in richer conditions are not well understood. The goal of this research is to evaluate some commercially available soot modeling codes for the particulate matter emissions from gasoline/ethanol fuel blends, especially at fuel rich conditions. A Rapid Compression Machine (RCM) is modeled in a three-dimensional numerical simulation using CONVERGE computational software using a reduced chemical kinetic mechanism with SAGE chemistry solver and a RANS k-ϵturbulence model with a sector model including the creviced piston. The creviced piston is used in the experimental setup to reduce boundary layer effects and to maintain a homogeneous core in the reaction cylinder. Computational fluid dynamics simulations are conducted for different gasoline-ethanol fuel blends from E10 (10% ethanol v/v) to E100. The fuel blend is modeled as a surrogate mixture of toluene, iso-octane, n-heptane for gasoline content, and ethanol. The computational results were validated against experimental results using pressure measurements and laser extinction diagnostics. Different soot models are investigated to evaluate their capability of predicting the sooting tendencies of fuel blends, especially in richer conditions experienced during mixing-controlled combustion. The experimental combustion characteristics such as the ignition delay of different blends of fuel are reasonably well predicted. The Particulate Size Mimic (PSM) model accurately predicts the soot generation characteristics of the different fuels, but the Hiroyasu-NSC model falls short in this regard. For accurate prediction of soot with the PSM model, the thermodynamic conditions during combustion must be accurately modeled. While the current computational modeling tools can produce accurate results for the prediction of particulate matter emissions, there is much work to be done in improving our understanding of the underlying fundamental processes.

Energy & Fuels↗

Experimental observations of large changes in electron density distributions in β - Ge

We report the electron density distributions in β-Ge have been experimentally determined at in situ high-pressure conditions using synchrotron diffraction techniques in a diamond anvil cell. Upon decompression, the electron density along the $c$ axis in tetragonal β-Ge displays a sudden drop at 10–11 GPa close to that of the structural α-β transition, while the β-Ge samples remain as single crystals until transforming to metastable Ge phases around 6.7–8.5 GPa. In contrast to the covalently bonded α-Ge that displays only a weak participation of $d$ electrons in the valence band under compression above 7.7 GPa, our experimental results suggest that a large change in $d$-orbital participation can occur in the β-Ge lattice which has mixed covalent and metallic bonding. The β-Ge below 10 GPa may display large fluctuations in electronic properties, which sheds light for exploring novel materials with intriguing electronic and optical properties.

36 MATERIALS SCIENCE↗

Viscosity Measurements in Extreme Conditions

Radiation-hydrodynamics simulations are critical to the NNSA complex for understanding high energy density physics and for addressing problems in national security science. However, current rad-hydro codes typically do not account for viscosity, which generally leads to large uncertainties in problems involving mixing of materials under shock loading. This report details progress made towards experimental measurements of fluid viscosity at high pressures and temperatures achieved by shock wave compression techniques, as well as complementary material model development and hydrodynamic simulations.

36 MATERIALS SCIENCE↗

Ducted Fuel Injection vs. Free-Spray Injection: A Study of Mixing and Entrainment Effects Using Numerical Modeling

Diesel engines are an important technology for transportation of both people and goods. However, historically they have suffered a significant downside of high soot and nitrogen oxides (NO x ) emissions. Recently, ducted fuel injection (DFI) has been demonstrated to attenuate soot formation in compression-ignition engines and combustion vessels by 50% to 100%. This allows for diesel engines to be run at low-NO x emissions that would have otherwise produced significantly more soot due to the soot/NO x tradeoff. Currently the root causes of this soot attenuation are not well understood. To be able to better optimize DFI for use across a variety of engines and conditions, it is important to understand clearly how it works. This study expands on the current understanding of DFI by using numerical modeling under nonreacting conditions to provide insights about the roles of entrainment and mixing that would have been much more challenging to obtain experimentally. We report this study found that DFI enhances charge gas entrainment upstream of the duct and blocks entrainment inside of the duct. Mixing is enhanced by the duct, which results in lower peak equivalence ratios at the exit of the duct.

42 ENGINEERING↗

On the Strong Convergence of Forward-Backward Splitting in Reconstructing Jointly Sparse Signals

We consider the problem of reconstructing an infinite set of sparse, finite-dimensional vectors, that share a common sparsity pattern, from incomplete measurements. This is in contrast to the work (Daubechies et al., Pure Appl. Math. 57(11), 1413–1457, 2004), where the single vector signal can be infinite-dimensional, and (Fornasier and Rauhut, SIAM J. Numer. Anal. 46(2), 577613, 2008), which extends the aforementioned work to the joint sparse recovery of finite number of infinite-dimensional vectors. In our case, to take account of the joint sparsity and promote the coupling of nonvanishing components, we employ a convex relaxation approach with mixed norm penalty ℓ 2,1 . This paper discusses the computation of the solutions of linear inverse problems with such relaxation by a forward-backward splitting algorithm. However, since the solution matrix possesses infinitely many columns, the arguments of Daubechies et al. (Pure Appl. Math. 57(11), 1413–1457, 2004) no longer apply. As such, we establish new strong convergence results for the algorithm, in particular when the set of jointly sparse vectors is infinite.

97 MATHEMATICS AND COMPUTING↗

Extreme compression of planetary gases: High-accuracy pressure-density measurements of hydrogen-helium mixtures above fourfold compression

Hydrogen (H 2 ) and helium (He), the most abundant elements in the universe, pose a unique challenge in measuring the equation of state of the mixture, owing to their differing physical properties. There remains a need for data with high enough precision to discriminate between existing equation of state (EOS) mix models in order to understand the internal structure of gas-giant planets. Here, we have measured the EOS of precompressed H 2 - He mixtures at conditions directly relevant to the planetary interiors using hypervelocity gas guns and Sandia’s Z machine with less than 10% uncertainty in density, enabling validation of mixture models. We precompressed 50:50 molar mixtures of H 2 -He to 0.1–0.2 GPa and directly measured particle velocity (in gas-gun experiments) and shock velocities (in Z-machine experiments). To complement the experimental efforts, we also computed the Hugoniots of precompressed H 2 -He mixtures using density-functional-theory-based molecular dynamics. Furthermore, we observe approximately 3- to 4.3-fold density compression at pressures up to 44 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analytical Modeling of Biomass Transport and Feeding Systems

The processing of biomass solids in a biorefinery consists of pretreatment, enzyme hydrolysis / concurrent fermentation of sugars to ethanol, product recovery, and drying. Sustainable operation requires a front end that transforms wet solids into a pumpable slurry. Otherwise the biorefinery will suffer unscheduled shut-downs and inefficient operation due to solids that obstruct pumps and other equipment and resist mixing in a bioreactor. Downtime in pioneer biorefineries due to interruptions from materials handling problems has been 50% or more, leading to unsustainable manufacturing processes. This work addresses new technology, predictive computational models, and definition of operational conditions that result in formation of slurries of corn stover at up to 300 g/L using low enzyme loadings (1 to 3 FPU cellulase/g) before the biomass (corn stover) enters the pretreatment step. A team of researchers from Purdue University, Idaho National Laboratory (INL), Forest Concepts, AdvanceBio, Argonne National Laboratory, and DOE BETO have combined their knowledge in agricultural and biological engineering, bioprocess engineering, mechanical engineering, chemical engineering, agricultural economics, materials engineering and enzyme and microbial technology to address the challenge of making lignocellulose flow. This team effort has resulted in the development and validation of conditions that employ low levels of commercial enzyme in an agitated bioreactor to which corn stover pellets are added resulting in formation of slurries at high solids loadings, before pretreatment. This approach overcomes challenges caused by handling of dry, particulate biomass materials at the front end of the biorefinery. The subsequent materials handling issues cause obstruction at pumps, pipes and valves. Formation of high loadings slurries with low yield stress, as reported here, significantly decreases the potential for process interruption and enhances plant operability. Key advances in the knowledge of how slurry formation occurs is reported here and in recently published journal papers. We found that pellets are needed to achieve high solids loading, and that commercial enzymes are effective in forming slurries of corn stover particles from pellets that have not been pretreated. Our work has resulted in models that predict solids behavior for formation of compressed solids and pellets that in turn facilitate slurries made of high concentrations of corn stover particles. A computational model was developed that gives mechanistic insights into properties of particles and mixing process that gives the slurry rheology needed to facilitate pumping. Hence, the corn stover may be pumped into a pretreatment reactor in place of auguring in solids against high pressure which is a root cause of interruptions at the front end of a biorefinery. Subsequent mixing in enzyme and microbial bioreactors results in conversion of lignocellulose to sugars in a biorefinery in agitated bioreactors, with flows in and out of the vessels being less likely to be interrupted due to plugging or materials handling problems. The obtained data coupled to process models, techno-economic assessment (TEA) and Life Cycle Analysis (LCA) were used to assess whether this approach is practical. These results are based on a foundation of laboratory characterization and pilot runs. The NREL biochemical sugar model was utilized to carry out techno-economic analysis of enzyme catalyzed liquefaction followed by enzyme hydrolysis. The minimum sugar selling price was between 17.5 and 18.3 ¢/pound or about the same as calculated by the NREL model for dilute acid pretreatment followed by enzyme hydrolysis. Life cycle analysis (LCA) based on Argonne’s Greet Model showed the enzyme catalyzed route had the lowest greenhouse gas emissions of the three combinations studied (i.e., enzyme, enzyme mimetic, and enzyme + mimetic combined). GHG emissions for enzyme-based corn stover liquefaction step, alone, were about 21 g CO 2 -equivalent/kg of liquefied slurry. We believe this approach will further enhance operability of a pioneer biorefinery, and bring large-scale conversion of lignocellulosic biomass to low carbon footprint biofuels closer to implementation.

09 BIOMASS FUELS↗

Topology-driven compressive behavior of Inconel 718 lattice structures with Z-strut reinforcement fabricated by laser powder bed fusion

This study investigates the compressive deformation behavior and mechanical performance of Inconel 718 lattice structures fabricated by laser powder bed fusion (LPBF). Four unit-cell topologies—BCC, FCC, BCCZ, and FCCZ—were designed with a unit-cell size of 3 mm and fabricated under identical process conditions to isolate the effect of topology. Measured relative densities ranged from 14.65% to 17.72%. Compressive testing showed that Z-strut-reinforced topologies (BCCZ: 54.6 MPa; FCCZ: 80.2 MPa) exhibited higher strength than their unreinforced counterparts, which may be associated with mixed-mode deformation behavior enabled by the vertically aligned Z-struts. Finite element simulations and Digital Image Correlation (DIC) analysis support the observation of a transition from node-dominated deformation in BCC/FCC to mixed-mode deformation in BCCZ/FCCZ. These findings suggest that unit-cell topology is a key design variable for tailoring deformation mechanisms in LPBF lattice structures.

36 MATERIALS SCIENCE↗

Experiments on a vapor compression air conditioner with liquid desiccants for efficient dehumidification

Buildings require air conditioning systems that not only cool and dehumidify supply air but also provide sufficient ventilation to ensure indoor air quality and occupant comfort. However, standard recirculation systems-which introduce about a 10 % to 20 % fraction of outdoor air-often fail to deliver air that is precisely cooled and dry, particularly because 80-90 % of the ventilation cooling load is latent. Mixing humid ventilation air with recirculated indoor air increases the energy and costs required to condition the air to comfortable levels. Dedicated outdoor air systems (DOASs) are designed to handle this latent dominated ventilation load and thus need to have efficient humidity removal. Many cooling cycles can perform this task. Here we describe a liquid desiccant DOAS, which combines a vapor compression cycle and a liquid desiccant absorber and desorber pair. We present its performance at 26 operating conditions and a thermodynamic model which can accurately predict the moisture removal efficiency. The model's performance predictions have a mean percentage error of 2.5 % and a coefficient of variation of the root mean square error of 7.5 %. We also compare the performance of this vapor-compression-coupled liquid desiccant system with a standard vapor compression system with the same components but no liquid desiccant. For the 26 conditions tested in this study, this comparison shows that adding liquid desiccants lowers the required evaporator cooling load by 21 %, allows for 25 % lower compressor volumetric capacity, and 25 % lower electricity use. Future work will leverage this model to quantify the reduction in annual electricity use across different climates, including the need for a standard vapor compression system to reheat the air during some of the year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Graphene nanoplatelet for enhancement the mechanical properties and durability characteristics of alkali activated binder

The effects of the addition of graphene nanoplatelets (GNPs) on the microstructure, heat of hydration, mechanical properties and durability characteristics of alkali activated binders were investigated. A simple mixing process led to reasonably uniform dispersion of GNPs in the matrix, with minor agglomeration of GNPs detected via scanning electron microscopy. Tests on engineering properties indicated that the compressive strength of the alkali activated binder increased with the addition of GNPs at relatively low concentrations. Gains were also realized in the abrasion resistance and moisture sorptivity of the binder with GNPs addition. The heat of hydration investigations indicated that the addition of GNPs accelerates the hydration process and increases the amount of hydration products, especially at early ages. Scanning electron microscope investigations further indicated that GNPs could impede the development of microcracks and mitigate their propagation within matrix; indications of good bonding between the GNPs and the alkali activated matrix were also noted.

36 MATERIALS SCIENCE↗