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DOE OSTI2020

Computationally efficient evaluation of optimum homogeneous charge compression ignition operating range with accelerated multizone engine cycle simulation

The very intensive calculations necessary to define a performance map requiring evaluation of over a hundred individual operating points can be efficiently conducted with accelerated multizone for engine cycle simulation, leading to a definition of regions of acceptable and optimum homogeneous charge compression ignition operation. Accelerated multizone for engine cycle simulation has the virtue of enabling accurate evaluation of many operating conditions based on thermal stratification data from a single fluid mechanics run at motored conditions. This is possible because thermal stratification is more sensitive to engine geometry than to operating conditions. In this article, accuracy of accelerated multizone for engine cycle simulation is demonstrated by comparison with experimental data for iso-octane homogeneous charge compression ignition operation over a broad range of lean equivalence ratios (0.14–0.28). The validated accelerated multizone for engine cycle simulation model is then applied to generating a performance map for an engine controlled by appropriately adjusting equivalence ratio and internal exhaust gas recirculation. Regions of acceptable and optimum combustion are identified. It is finally demonstrated that while indicated mean effective pressure remains low for optimum homogeneous charge compression ignition operation (1–4 bar), this is sufficient for a large fraction of typical driving in light-duty vehicles. Much driving including idle can therefore be done in homogeneous charge compression ignition mode at high efficiency and low (essentially zero) NOx and particulate matter emissions.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2019

Ultra-High Pressure Dynamic Compression of Geological Materials

Dynamic-compression experiments on geological materials are important for understanding the composition and physical state of the deep interior of the Earth and other planets. These experiments also provide insights into impact processes relevant to planetary formation and evolution. Recently, new techniques for dynamic compression using high-powered lasers and pulsed-power systems have been developed. These methods allow for compression on timescales ranging from nanoseconds to microseconds and can often achieve substantially higher pressure than earlier gas-gun-based loading techniques. The capability to produce shockless (i.e., ramp) compression provides access to new regimes of pressure–temperature space and new diagnostics allow for a more detailed understanding of the structure and physical properties of materials under dynamic loading. This review summarizes these recent advances, focusing on results for geological materials at ultra-high pressures above 200 GPa. Implications for the structure and dynamics of planetary interiors are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

A Novel CAE Method for Compression Molding Simulation of Carbon Fiber-Reinforced Thermoplastic Composite Sheet Materials

Its high-specific strength and stiffness with lower cost make discontinuous fiber-reinforced thermoplastic (FRT) materials an ideal choice for lightweight applications in the automotive industry. Compression molding is one of the preferred manufacturing processes for such materials as it offers the opportunity to maintain a longer fiber length and higher volume production. In the past, we have demonstrated that compression molding of FRT in bulk form can be simulated by treating melt flow as a continuum using the conservation of mass and momentum equations. However, the compression molding of such materials in sheet form using a similar approach does not work well. The assumption of melt flow as a continuum does not hold for such deformation processes. To address this challenge, we have developed a novel simulation approach. First, the draping of the sheet was simulated as a structural deformation using the explicit finite element approach. Next, the draped shape was compressed using fluid mechanics equations. The proposed method was verified by building a physical part and comparing the predicted fiber orientation and warpage measurements performed on the physical parts. The developed method and tools are expected to help in expediting the development of FRT parts, which will help achieve lightweight targets in the automotive industry.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Energy Cascade Rate in Compressible Fast and Slow Solar Wind Turbulence

Estimation of the energy cascade rate in the inertial range of solar wind turbulence has been done so far mostly within incompressible magnetohydrodynamics (MHD) theory. Here, we go beyond that approximation to include plasma compressibility using a reduced form of a recently derived exact law for compressible, isothermal MHD turbulence. Using in situ data from the THEMIS / ARTEMIS spacecraft in the fast and slow solar wind, we investigate in detail the role of the compressible fluctuations in modifying the energy cascade rate with respect to the prediction of the incompressible MHD model. In particular, we found that the energy cascade rate (1) is amplified particularly in the slow solar wind; (2) exhibits weaker fluctuations in spatial scales, which leads to a broader inertial range than the previous reported ones; (3) has a power-law scaling with the turbulent Mach number; (4) has a lower level of spatial anisotropy. Other features of solar wind turbulence are discussed along with their comparison with previous studies that used incompressible or heuristic (nonexact) compressible MHD models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Total variation vs L1 regularization: a comparison of compressive sensing optimization methods for chemical detection

One of the fundamental assumptions of compressive sensing (CS) is that a signal can be reconstructed from a small number of samples by solving an optimization problem with the appropriate regularization term. Two standard regularization terms are the L1 norm and the total variation (TV) norm. We present a comparison of CS reconstruction results based on these two approaches in the context of chemical detection, and we demonstrate that optimization based on the L1 norm outperforms optimization based on the TV norm. Our comparison is driven by CS sampling, reconstruction, and chemical detection in two real-world datasets: the Physical Sciences Inc. Fabry-Perot interferometer sensor multispectral dataset and the Johns Hopkins Applied Physics Lab FTIR-based longwave infrared sensor hyperspectral dataset. Both datasets contain the release of a chemical simulant such as glacial acetic acid, triethyl phosphate, and sulfur hexafluoride. For chemical detection we use the adaptive coherence estimator (ACE) and bulk coherence, and we propose algorithmic ACE thresholds to define the presence or absence of a chemical of interest in both un-compressed data cubes and reconstructed data cubes. The un-compressed data cubes provide an approximate ground truth. We demonstrate that optimization based on either the L1 norm or TV norm results in successful chemical detection at a compression rate of 90%, but we show that L1 optimization is preferable. We present quantitative comparisons of chemical detection on reconstructions from the two methods, with an emphasis on the number of pixels with an ACE value above the threshold.

Hyperspectral imagery, L1-norm, total variation, A↗

DOE OSTI2019

Ignition, Flame Propagation, and End-Gas Autoignition Studies of Natural Gas/EGR Blends in a Rapid Compression Machine

The development of high efficiency, spark ignited natural gas engines is currently limited by engine knock at high power density (at high compression ratio and/or elevated boost pressures) and misfire (at lean conditions and/or high exhaust gas recirculation levels). The knock and misfire limits are further confounded by the wide variety in fuel reactivity observed in “pipeline quality” natural gas. In this study, a rapid compression machine (RCM) was used to characterize the effects of variation in natural gas fuel reactivity and exhaust gas recirculation (EGR) on homogeneous ignition delay, flame propagation rate and end-gas autoignition (EGAI) propensity for stoichiometric natural gas/oxidizer/EGR blends. Pipeline quality natural gas with variable reactivity (68 < Methane Number < 95) was simulated using mixtures of methane, ethane, and propane. EGR was simulated with mixtures of Ar, CO2, CO, and NO. EGR substitution rates were varied from 0 to 30 mass percent. Ignition delay period under homogeneous autoignition conditions was measured at compressed pressures of 24.0 to 33.1 bar and compressed temperatures of 667 to 980 K. Flame propagation rate and EGAI propensity was measured at spark-ignition pressures of 29.9 to 32.9 bar and temperatures of 721 to 782 K.

Ignition Delay, Flame Propagation Rate, Rapid Comp↗

DOE OSTI2024

Physical Properties of Hilti HIT-RE 500 V3 After Irradiation: Slant Shear, Tensile, Flexural, and Compressive

There are various applications in which epoxy adhesives may be used within hot-cell environments. These epoxies currently see limited use within hot cells since it is known that organics see degradation after small doses even as low as 50 kilogray (kGy). These losses in physical property strengths limit the use of these epoxies to non-structural applications. In modern construction, however, the use of epoxies to bond structural components such as rebar or threaded anchors is becoming increasingly prevalent. To employ these types of materials the Idaho National Laboratory (INL) has begun investigating the specific degradation properties of epoxies for use in structural applications in environments where radiation is present. Hilti HIT-RE 500 V3 is used extensively in new construction and renovation projects across the world. The INL has conducted various tests on this epoxy for low dose environments. These tests include tensile, flexural, compression, and slant shear tests following the American Society for Testing Material International (ASTM) standards D638, D790, D695, and C882/882M respectively. Two sample sets for each test were created where the baseline specimens were not irradiated, and another set was irradiated to an accumulated dose of approximately 50-60 kGy. All the samples were destructively tested and analyzed focusing on the change in physical properties, examples of these tests are shown in Figures 1-4. Tensile testing results indicate a 0.9% loss in maximum load capacity, a 0.5% loss in tensile stress at maximum load, a 1.4% loss in tensile strain at break, and a 15% decrease in modulus of elasticity. Flexural testing results display an increase in all the following: 12% in strain at maximum load, 10% in maximum load capacity, 5% in stress at maximum load, and 3% in young’s modulus. The compressive physical properties after irradiation display a 1% increase in maximum load, a 3% decrease in stress at yield, and a 5% decrease in modulus of elasticity. The maximum compressive stress saw no measurable change after irradiation. The slant shear specimens after irradiation displayed a 2% increase in maximum load capacity and maximum compressive stress. Though a structural analysis would have to be completed as is normal for building design the increases and decreases in the measured physical properties indicate that this material may be used for structural applications in low dose hot-cell environments without adhesive failure.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Multilevel techniques for compression and reduction of scientific data—the univariate case

We present a multilevel technique for the compression and reduction of univariate data and give an optimal complexity algorithm for its implementation. A hierarchical scheme offers the flexibility to produce multiple levels of partial decompression of the data so that each user can work with a reduced representation that requires minimal storage whilst achieving the required level of tolerance. The algorithm is applied to the case of turbulence modelling in which the datasets are traditionally not only extremely large but inherently non-smooth and, as such, rather resistant to compression. Here, we decompress the data for a range of relative errors, carry out the usual analysis procedures for turbulent data, and compare the results of the analysis on the reduced datasets to the results that would be obtained on the full dataset. The results obtained demonstrate the promise of multilevel compression techniques for the reduction of data arising from large scale simulations of complex phenomena such as turbulence modelling.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Signal Recovery and System Calibration from Multiple Compressive Poisson Measurements

The measurement matrix employed in compressive sensing typically cannot be known precisely a priori and must be estimated via calibration. One may take multiple compressive measurements, from which the measurement matrix and underlying signals may be estimated jointly. This is of interest as well when the measurement matrix may change as a function of the details of what is measured. This problem has been considered recently for Gaussian measurement noise, and here we develop this idea with application to Poisson systems. A collaborative maximum likelihood algorithm and alternating proximal gradient algorithm are proposed, and associated theoretical performance guarantees are established based on newly derived concentration-of-measure results. A Bayesian model is then introduced, to improve flexibility and generality. Connections between the maximum likelihood methods and the Bayesian model are developed, and example results are presented for a real compressive X-ray imaging system.

Bayesian compressive sensing↗

DOE OSTI2018

Compressive Properties and Energy Absorption of Aluminum Foams with a Wide Range of Relative Densities

Quasi-static uniaxial compressive experiments were conducted on aluminum foams with a wide range of relative densities (0.134-0.472). The compressive properties and energy absorption capacity were systematically characterized and compared in a more suitable way. The compressive stress instead of compressive strain achieved during energy absorption process was taken into consideration. The results show that aluminum foam is not a kind of energy absorption materials with a stationary plateau region at the plastic deformation stage. There exists a strain hardening phenomenon which makes the stress–strain curve incline at this stage. For every aluminum foam with certain relative density, there exists an optimal stress. Under its optimal stress condition, the foam can absorb the maximum energy compared to foams with whatever different relative densities. The optimal stress and corresponding maximum energy absorption capacity increase with the increase in the foam’s relative density.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Tension–Compression Asymmetry Improved by Cold Extrusion in Pure Magnesium

In this paper, cold extrusion was successfully used to fabricate the fine-grained pure Mg bar with average grain size of 2.5 μm. The microstructure, texture and mechanical properties were evaluated by electron backscattering diffraction and mechanical test. The results showed that the corresponding yield strengths for as-extruded fine-grained pure Mg were 130.8 MPa in tension and 125.6 MPa in compression, leading to a greatly improved yield asymmetry ratio. The improvement in tension–compression asymmetry is mainly due to grain refinement which favors the suppression of deformation twinning in compression and promotion of multi-deformation modes both in tension and compression at small strains.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Effects of heat treatment and build orientation on the evolution of $ϵ$ and $α'$ martensite and strength during compressive loading of additively manufactured 304L stainless steel

In this paper, the effect of heat-treatment and build orientation on martensitic phase transformation in additively manufactured (AM) 304L stainless steel is studied and compared with conventionally produced wrought material. The relationships between observed martensitic transformations and material microstructures and their effects on mechanical strength are established through experimental observations. In situ high-energy X-ray powder diffraction measurements were performed to monitor the evolution of $ϵ$ and $α'$ martensite during compressive loading of stainless steel. Electron backscatter diffraction (EBSD) was used to provide insight on initial grain morphology, crystallographic misorientation within grains, and crystallographic texture. Heat treatment alters the microstructure of AM samples creating different initial conditions. This difference in starting microstructure resulted in variability in martensitic transformation during compressive deformation. The rate of martensitic transformation decreased for AM samples treated with temperatures up to 1100°C, after which the AM microstructures recrystallized, resulting in increased rate of martensitic transformation for those samples treated at higher temperatures. It was also observed that aligning the axis of compression with the AM build direction resulted in a lower rate of strain-induced martensite formation as opposed to aligning the compression axis perpendicular to it. More favorable distribution of crystal orientations in the latter loading orientation promoted martensitic transformation. These and additional experimental observations from EBSD in terms of kernel average misorientation, mean grain orientation spread, and mean crystallite size reveal strong microstructural effects on strength of additively manufactured metallic materials.

304L stainless steel↗

DOE OSTI2024

Tension-compression asymmetry in superelasticity of SrNi 2 P 2 single crystals and the influence of low temperatures

ThCr 2 Si 2 -type intermetallic compounds are known to exhibit superelasticity associated with structural transitions through lattice collapse and expansion. These transitions occur via the formation and breaking of Si-type bonds, respectively, under uniaxial loading along the [0 0 1] direction. Unlike most ThCr 2 Si 2 -type intermetallic compounds, which have either an uncollapsed tetragonal structure or a collapsed tetragonal structure, SrNi 2 P 2 possesses a third type of collapsed structured: a one-third orthorhombic structure, for which one expects the occurrence of unique structural transitions and superelastic behavior. In this study, uniaxial compression and tension tests were conducted on micron-sized SrNi 2 P 2 single crystalline columns at room temperature, 200 K, and 100 K, to investigate the influence of loading direction and temperature on the superelasticity of SrNi 2 P 2 . Experimental data and density functional theory calculations revealed the presence of tension-compression asymmetry in the structural transitions and superelasticity, as well as an asymmetry in their temperature dependence, due to the opposite superelastic process associated with compression (forming P-P bonds) and tension (breaking P-P bonds). Additionally, following thermodynamics, the observations suggest that this asymmetric superelasticity could lead to an opposite elastocaloric effect between compression and tension, which could be beneficial potentially in obtaining large temperature changes compared to conventional superelastic solids that show the same elastocaloric effect regardless of loading direction. Furthermore, these results provide an important fundamental insight into the structural transitions, superelasticity processes, and potential elastocaloric effects in SrNi 2 P 2 .

36 MATERIALS SCIENCE↗

DOE OSTI2018

Compressed sparse tensor based quadrature for vibrational quantum mechanics integrals

A new method for fast evaluation of high dimensional integrals arising in quantum mechanics is proposed. Here, the method is based on sparse approximation of a high dimensional function followed by a low-rank compression. In the first step, we interpret the high dimensional integrand as a tensor in a suitable tensor product space and determine its entries by a compressed sensing based algorithm using only a few function evaluations. Secondly, we implement a rank reduction strategy to compress this tensor in a suitable low-rank tensor format using standard tensor compression tools. This allows representing a high dimensional integrand function as a small sum of products of low dimensional functions. Finally, a low dimensional Gauss–Hermite quadrature rule is used to integrate this low-rank representation, thus alleviating the curse of dimensionality. Finally, numerical tests on synthetic functions, as well as on energy correction integrals for water and formaldehyde molecules demonstrate the efficiency of this method using very few function evaluations as compared to other integration strategies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

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↗

DOE OSTI2020

Meso-scale modeling and damage analysis of carbon/epoxy woven fabric composite under in-plane tension and compression loadings

The mechanical properties and damage behaviors of carbon/epoxy woven fabric composite under in-plane tension and compression are studied at the meso-scale level through experiment and simulation. An efficient representative volume element (RVE) modeling method with consistent mesh, high yarn volume fraction and realistic geometry is proposed. The material constitutive laws with plasticity, tension-compression asymmetry and damage evolution are established for the three components - yarn, matrix and interface, respectively. Significantly different mechanical properties and damage evolutions are observed depending on loading conditions and initial geometry characteristics. It shows a non-linear stress-strain curve with clear transition region and intensive damage in tension, while a quasi-linear behavior up to facture is observed in compression with little damage prior to final fracture. Furthermore, compared to the constant Poisson's ratio with straining in compression, a dramatic increase in Poisson's ratio appears in tension. Simulation shows damage mechanisms including transverse damage, matrix damage and delamination, which all play critical roles in the property evolution. In particular, the rapid damage accumulation after elastic deformation destroys the strong bonds and causes the easy deformation of transverse yarns which results in the transition region and large Poisson's ratio in tension. All the mechanical behaviors and damage evolutions are well captured and explained with the current RVE model.

42 ENGINEERING↗

DOE OSTI2018

Effect of microstructures on hot compression behavior of a Ti-43Al-2Si alloy fabricated by cold crucible continuous casting

Highlights: • TiAl alloys with different lamellar colonies were fabricated by cold crucible continuous casting. • EBSD was used to investigate the evolution of lamellae during the hot compression. • Lamellar colony boundaries promote the dynamic recrystallization process. - Abstract: To investigate the influence of lamellar orientation and colony boundary on deformation behavior, fully lamellar Ti-43Al-2Si alloys were prepared by cold crucible continuous casting and isothermal compression tests were conducted at different temperatures in the range 1373–1523 K with a strain rate of 0.01 s{sup −1}. The as-cast microstructures were elongated colony with lamellae oriented at nearly 45° to the compression direction and equiaxed colony with various lamellae orientations, respectively. The results revealed that serious cracking or sliding traces appeared on the surface of deformed specimens with elongated colony original microstructure and that their peak stresses were lower compared to those of specimens with equiaxed colony original microstructure. The relationship between deformation behaviors and as-cast microstructure was analyzed in detail. It was found that the recrystallization/globularization level is significantly lower than that in specimens with equiaxed colony original microstructure during hot deformation owing to the preferred nucleation sites in colony boundaries. Finally, the lamellae conversion process was characterized to reveal the softening mechanisms of full lamellar TiAl-based alloy during hot compression.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Dynamic recrystallization kinetics and microstructure evolution of an AZ91D magnesium alloy during hot compression

Highlights: • DRX kinetic model is developed for the aged AZ91D magnesium alloy. • The DRX behavior in different strained regions was investigated. • Four morphologies of the second phase were proposed during the hot compression tests. • The nucleation mechanisms of the DRX grains were clarified. - Abstract: The flow behavior of as-cast AZ91D magnesium alloy was evaluated by isothermal compression tests within the temperatures of 220 °C, 260 °C, 300 °C, 340 °C, and 380 °C, and the strain rates of 0.001, 0.01, 0.1, 1 and 10s{sup −1}. Based on the stress-strain curve and hyperbolic sine function, the thermal activation energy and the strain rate sensitivity of the material were determined to be 142.2726 kJ·mol{sup −1} and 0.142, respectively. The S type evolution of the dynamic recrystallization with the increasing strain that dynamic recrystallization (DRX) model obtained from stress and strain data. There was a good consistency between the proposed DRX kinetics model and microstructure observation results. Combining isothermal compression specimens with finite element and scanning electron microscopy (SEM) analysis indicated that the sample can be divided into rarely recrystallized region, partially recrystallized region and completely recrystallized region, which falls within the dense deformation zone, free deformation zone and severe deformation zone, respectively. The different forms of the β-Mg{sub 17}Al{sub 12} phase induced by compression tests were confirmed by SEM. Nucleation mechanisms of the DRX were discussed with reference to the transmission electron microscope (TEM) analysis results.

36 MATERIALS SCIENCE↗