Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “data compression”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,765 records · Page 98

Non-intrusive reduced order modeling of natural convection in porous media using convolutional autoencoders: Comparison with linear subspace techniques

Natural convection in porous media is a highly nonlinear multiphysical problem relevant to many engineering applications (e.g., the process of CO 2 sequestration). Here, we extend and present a non-intrusive reduced order model of natural convection in porous media employing deep convolutional autoencoders for the compression and reconstruction and either radial basis function (RBF) interpolation or artificial neural networks (ANNs) for mapping parameters of partial differential equations (PDEs) on the corresponding nonlinear manifolds. To benchmark our approach, we also describe linear compression and reconstruction processes relying on proper orthogonal decomposition (POD) and ANNs. Further, we present comprehensive comparisons among different models through three benchmark problems. The reduced order models, linear and nonlinear approaches, are much faster than the finite element model, obtaining a maximum speed-up of 7 × 10 6 because our framework is not bound by the Courant–Friedrichs–Lewy condition; hence, it could deliver quantities of interest at any given time contrary to the finite element model. Our model’s accuracy still lies within a relative error of 7% in the worst-case scenario. We illustrate that, in specific settings, the nonlinear approach outperforms its linear counterpart and vice versa. We hypothesize that a visual comparison between principal component analysis (PCA) and t-Distributed Stochastic Neighbor Embedding (t-SNE) could indicate which method will perform better prior to employing any specific compression strategy.

97 MATHEMATICS AND COMPUTING↗

Lattice Dynamics and Structural Phase Transitions in Eu 2 O 3

Using the density functional theory, we study the structural and lattice dynamical properties of europium sesquioxide (Eu 2 O 3 ) in the cubic, trigonal, and monoclinic phases. The obtained lattice parameters and energies of the Raman modes show a good agreement with the available experimental data. The Eu-partial phonon density of states calculated for the cubic structure is compared with the nuclear inelastic scattering data obtained from a 20 nm thick Eu 2 O 3 film deposited on a YSZ substrate. A small shift of the experimental spectrum to higher energies results from a compressive strain induced by the substrate. On the basis of lattice and phonon properties, we analyze the mechanisms of structural transitions between different phases of Eu 2 O 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Picosecond Dynamical Response to a Pressure-Induced Break of the Tertiary Structure Hydrogen Bonds in a Membrane Chromoprotein

In this work, we used elastic incoherent neutron scattering (EINS) to find out if structural changes accompanying local hydrogen bond rupture are also reflected in global dynamical response of the protein complex. Chromatophore membranes from LH2-only strains of the photosynthetic bacterium Rhodobacter sphaeroides, with spheroidenone or neurosporene as the major carotenoids, were subjected to high hydrostatic pressure at ambient temperature. Optical spectroscopy conducted at high pressure confirmed rupture of tertiary structure hydrogen bonds. In parallel, we used EINS to follow average motions of the hydrogen atoms in LH2, which reflect the flexibility of this complex. A decrease of the average atomic mean square displacements of hydrogen atoms was observed up to a pressure of 5 kbar in both carotenoid samples due to general stiffening of protein structures, while at higher pressures a slight increase of the displacements was detected in the neurosporene mutant LH2 sample only. These data reflect a correlation between the local pressure-induced breakage of H-bonds, observed in optical spectra, with the altered protein dynamics monitored by EINS. The slightly higher compressibility of the neurosporene mutant sample shows that even subtle alterations of carotenoids are manifested on a larger scale and emphasize a close connection between the local structure and global dynamics of this membrane protein complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Block Design with Common Reference Samples Enables Robust Large-Scale Label-Free Quantitative Proteome Profiling

Label-free quantitative proteomics has become an increasingly popular tool for profiling global protein abundances. However, one major weakness is the potential performance drift of the LC-MS platform over time, which in turn limits its utility for analyzing large-scale sample sets. To address this, in this work we introduce an experimental and data analysis scheme based on a block-design with common controls within each block for enabling LC-MS-based large-scale label-free quantification. In this scheme, a large number of samples (e.g., >100 samples) are analyzed in smaller, and more manageable blocks, minimizing instrument drift and variability within a block. Furthermore, each designated block also contains common controls (or reference) samples for normalization within and across blocks. We demonstrated the effectiveness of this method by profiling the proteome response of human macrophage THP-1 cells to 11 engineered nanomaterials (ENMs) at two different doses. A total of 116 samples were analyzed in six blocks, yielding an average coverage of 4500 proteins per sample. The data revealed consistent quantification of proteins across all six blocks, as shown by highly stable quantification of house-keeping proteins in all samples and high levels of quantification correlation among samples from different blocks. The data also demonstrated that label-free quantification is robust and accurate enough to quantify even very subtle abundance changes as well as large fold-changes without potential ratio compression as often encountered with isobaric labeling. Our streamlined workflow is easy to implement and can be readily adapted to other large cohort studies for reproducible label-free proteome quantification.

59 BASIC BIOLOGICAL SCIENCES↗

Tapered erbium-doped fibre laser system delivering 10 MW of peak power

We consider a fibre laser system generating ∼10-μJ, ∼500-fs pulses with a peak power of ∼10 MW at a repetition rate of 100 kHz and emission wavelength of 1.56 μm. The system is based on a master oscillator – power amplifier configuration. The amplifier ensures chirped-pulse amplification. The pulses are then compressed by a dispersive grating compressor. The output amplifier stage is based on a specially designed tapered large mode area erbium-doped fibre for suppressing nonlinear effects. The experimental data agree with numerical simulation results for the stretcher, amplifier and compressor. The stretcher and amplifier have been simulated using a generalised nonlinear Schrödinger equation. In addition, numerical simulation results suggest that optimising the stretcher and compressor will potentially allow the peak power of the system to be scaled up to ∼30 MW. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Pervasive symmetry-lowering nanoscale structural fluctuations in the cuprate La 2−𝑥 ⁢Sr 𝑥 ⁢Cu⁢O 4

The cuprate superconductors are among the most widely studied quantum materials, yet there remain fundamental open questions regarding their electronic properties and the role of structural degrees of freedom. Recent neutron and x-ray scattering measurements uncovered exponential scaling with temperature of the strength of orthorhombic fluctuations in the tetragonal phase of La 2−𝑥⁢ Sr 𝑥 ⁢Cu⁢O 4 and Tl 2 ⁢Ba 2 ⁢Cu⁢O 6+𝛿 , unusual behavior that closely resembles prior results for the emergence of superconducting fluctuations, and that points to a common origin rooted in inherent correlated structural inhomogeneity. Here, in this study, we use neutron and x-ray diffuse scattering to provide further insight into structural fluctuations in La 2−𝑥 ⁢Sr 𝑥 ⁢Cu⁢O 4 . We perform measurements up to temperatures that approach the melting point of the undoped parent compound, and we investigate the effects of in situ in-plane uniaxial elastic stress and plastic deformation. Our neutron scattering results for the parent compound La 2 ⁢Cu⁢O 4 reveal that short-range orthorhombic fluctuations persist to the maximum experimental temperature of nearly 1000 K, i.e., to a significant fraction of the crystallization temperature. At this temperature, the spatial characteristic length extracted from the momentum-space data is still about three lattice constants. The neutron scattering experiment enables quasistatic discrimination and reveals that the response is increasingly dynamic at higher temperatures. We also find that neither compressive elastic stress along the tetragonal [110] direction nor irreversible plastic deformation activating the ⟨100⟩⁢[001] slip system significantly alter the robust orthorhombic fluctuations. Overall, these results support the notion that these fluctuations couple to subtle, underlying inhomogeneity that underpins the cuprate phase diagram. Finally, in La 1.8⁢ Sr 0.2⁢ Cu⁢O 4 , we uncover low-energy structural fluctuations at a nominally forbidden reflection that are distinct from the orthorhombic distortions. While the origin of these fluctuations is not clear, they might be related to the presence of extended defects such as dislocations or stacking faults.

Spieker, R. J. [Univ. of Minnesota, Minneapolis, M↗

Insulating state of ultrathin epitaxial LaNiO{sub 3} thin films detected by hard x-ray photoemission

In order to understand the influence of strain and film thickness on the electronic structure of thin films of strongly correlated oxides, we have applied hard x-ray photoemission (HXPS) at 6 keV, soft x-ray photoemission (XPS) at 1.5 keV, and transmission electron microscopy to epitaxial LaNiO{sub 3} films deposited on two substrates: LaAlO{sub 3} (compressive strain) and (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 6}){sub 0.7} (tensile strain). Using inelastic attenuation lengths in LaNiO{sub 3} determined from the HXPS data, we have decomposed valence-band spectra into layer-specific contributions. This decomposition is validated by comparing with the results of first-principles calculations using a hybrid functional. The resultant thin-film LaNiO{sub 3} densities of states exhibit significant differences in spectral weights for the thinnest LaNiO{sub 3} films. A gap opening consistent with a metal-to-insulator transition is observed for the thinnest 2.7 nm LaNiO{sub 3} film on an (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 6}){sub 0.7} substrate, with a similar gap opening also being observed in complementary soft x-ray photoemission at 1.5 keV for a thinner 1.4 nm film on an LaAlO{sub 3} substrate. A metal-to-insulator transition in very thin nm-scale films of LaNiO{sub 3} is thus suggested as a general phenomenon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Variational Autoencoder Model Toward Molecular Structure Representation Learning of Fuels

Here, in this work, a Variational Autoencoder (VAE)-based data-driven modeling framework is developed with the overarching goal of enabling fuel design. The VAE model is trained on a large dataset with several chemical species to learn a compressed latent space molecular representation. Chemical structure in the form of Simplified Molecular Input Line Entry System (SMILES) string is fed as input, encoded into the VAE latent space, and decoded back to the SMILES string using Long Short-Term Memory (LSTM) networks. Complexities of the VAE training loss function are thoroughly examined by varying the weightage (beta (𝜷) parameter) of the latent space regularization term, thereby assessing the balance between reconstruction accuracy and validity, and focusing on both accurate molecular structure reconstruction and latent space consistency. Two different strategies for 𝜷 variation are evaluated: linear annealing and cyclic annealing. In addition, the impact of total correlation adjustment and hierarchical priors is also studied with regard to the balance between reconstruction fidelity and latent space regularization, and potential issues such as posterior collapse, over-regularization, and poor disentanglement of latent variables. Overall, the best performance of the model is achieved with hierarchical priors and incrementally increasing 𝜷 from 0 to a threshold value of 0.25 over 75 epochs. The generative VAE model can be readily coupled with Quantitative Structure–Property Relationship (QSPR) analysis to develop an integrated end-to-end framework for fuel-property prediction and molecular design of novel promising fuels.

fuel design↗

Exploring New Physics Beyond the Standard Model: Final Technical Report

This grant in 2015 to 2016 was for support in the area of theoretical High Energy Physics. The research supported focused mainly on the energy frontier, but it also has connections to both the cosmic and intensity frontiers. Lian-Tao Wang (PI) focused mainly on signal of new physics at colliders. The year 2015 - 2016, covered by this grant, has been an exciting period of digesting the influx of LHC data, understanding its meaning, and using it to refine strategies for deeper exploration. The PI proposed new methods of searching for new physics at the LHC, such as for the compressed stops. He also investigated in detail the signal of composite Higgs models, focusing on spin-1 composite resonances in the di-boson channel. He has also considered di-photon as a probe for such models. He has also made contributions in formulating search strategies of dark matter at the LHC, resulting in two documents with recommendations. The PI has also been active in studying the physics potential of future colliders, including Higgs factories and 100 TeV pp colliders. He has given comprehensive overview of the physics potential of the high energy proton collider, and outline its luminosity targets. He has also studied the use of lepton colliders to probe fermionic Higgs portal and bottom quark couplings to the Z boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High-Fidelity Calibration and Characterization of Hyperspectral Computed Tomography System

This document archives the results developed by the Lab Directed Research and Development (LDRD) project sponsored by Sandia National Laboratories (SNL). In this work, a numerical study was performed to show the feasibility of approximating the non-linear operator of SNL's unique high-energy hyperspectral computed tomography system as a sequence of linear operators. The four main results gained from this work include the development of a simulation test-bed using a particle-transport Monte Carlo approach; the demonstration to assemble a linear operator of almost-arbitrary resolution for a given narrow energy window, developing a compression approach to dramatically reduce the size of the linear operator via a spline approach, and the demonstration of using the linear operator to perform processing of x-ray data; in this case, the development of an iterative reconstruction method. This numerical study has indicated that if these results can be replicated on the SNL system, the improved performance could be revolutionary as the method to approximate the nonlinear operator for a hyperspectral CT system is not feasible to perform on a traditional CT system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Compressor is A Sensor (Final Report)

The performance of the heat pump system varies greatly depending on the refrigerant charge amount. Improving the refrigerant charge fault detection and diagnostics (FDD) method of vapor compression systems have the potential for increasing energy efficiency and reducing service cost. Previous studies to predict refrigerant charge amount are mostly empirical methods which require significant amount of experimental data for high accuracy. The primary goal of this research is to develop a charge fault detection method which requires only a few experimental data with high prediction accuracy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Universal Refrigerant Charge Fault Detection and Diagnostics Method Based on Pump Down Operation

The performance of the heat pump system varies greatly depending on the refrigerant charge amount. Improving the refrigerant charge fault detection and diagnostics (FDD) method of vapor compression systems have the potential for increasing energy efficiency and reducing service cost. Previous studies to predict refrigerant charge amount are mostly empirical methods which require significant amount of experimental data for high accuracy. The primary goal of this research is to develop a universal charge fault detection method which requires only a few experimental data with high prediction accuracy.Currently, pump down operations are typical practices by HVAC technicians when they need to open the refrigerant circuit to make a repairment. In addition, compressors have a built-in low-pressure cut-off protection function, and the compressor performance maps are commonly available from manufacturers. The proposed method innovatively utilizes the typical pump down operation, the compressor low-pressure cut-off protection, and the compressor performance map. It does not require any geometry information of heat exchangers, refrigerant lines, or charge buffers.The new charge prediction method is firstly formulated through theoretical analysis, then verified and calibrated by a quasi-steady-state simulation of the pump down process for a residential heat pump system. The quasi steady-state simulation uses an HVAC system simulation framework driven by DOE/ORNL Heat Pump Design Model (HPDM). Preliminary experiment validations with heat pump refrigerant leakage tests demonstrate the deviation of the proposed charge prediction method compared with measurement is within 8%. This technology makes refrigerant charge amount available at the technician’s fingertips and leads to shorter maintenance time and fewer site visits.

Li, Zhenning↗

Numerical Simulations of the Kolsky Compression Bar Test

The Kolsky compression bar, or split Hopkinson pressure bar (SHPB), is an ex- perimental apparatus used to obtain the stress-strain response of material specimens at strain rates in the order of 10 2 to 10 4 1/s. Its operation and associated data re- duction are based on principles of one-dimensional wave propagation in rods. Second order effects such as indentation of the bars by the specimen and wave dispersion in the bars, however, can significantly affect aspects of the measured material response. Finite element models of the experimental apparatus were used here to demonstrate these two effects. A procedure proposed by Safa and Gary (2010) to account for bar indentation was also evaluated and shown to improve the estimation of the strain in the bars significantly. The use of pulse shapers was also shown to alleviate the effects of wave dispersion. Combining the two can lead to more reliable results in Kolsky compression bar testing.

Corona, Edmundo↗

Applications of deuterium-tritium equation of state based on density functional theory in inertial confinement fusion

An accurate equation of state for deuterium-tritium mixture is of crucial importance in inertial confinement fusion. The equation of state can determine the compressibility of the imploding target and the energy deposited into the fusion fuel. In the present work, a new deuterium-tritium equation of state, which is calculated according to quantum molecular dynamic and orbital free molecular dynamic simulations, has been used to study the target implosion hydrodynamics. The results indicate that the peak density predicted by the new equation of state is ∼10% higher than the quotidian equation of state data. During the implosion, the areal density and neutron yield are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Fuel molecular structure effect on autoignition of highly branched iso-alkanes at low-to-intermediate temperatures: Iso-octane versus iso-dodecane

Highly branched iso-alkanes are an important class of hydrocarbons found in conventional petroleum-derived and alternative renewable fuels used for combustion applications. Recognizing that chemical kinetics for most of these iso-alkanes, especially at low-to-intermediate temperatures, has not been well studied, an experimental and modeling investigation of two selected iso-alkanes, iso-octane (2,2,4-trimethylpentane, iC8) and iso-dodecane (2,2,4,6,6-pentamethylheptane, iC12), is conducted to understand the fuel molecular structure effect on their autoignition characteristics. Using a rapid compression machine (RCM), the ignition responses of iC8 and iC12 at varying pressures, temperatures, and equivalence ratios are characterized and compared. The newly-acquired experimental ignition delay times have been compared with the literature RCM and shock tube data, demonstrating the complementary nature of the current dataset. Further comparison of the experimental pressure traces and ignition delay times illustrates the reactivity crossover between iC8 and iC12. Namely, there exists a temperature window in the negative temperature coefficient regime within which iC12 is less reactive than iC8, but iC12 becomes more reactive outside this temperature window. Furthermore, a chemical kinetic model of iso-alkanes including both iC8 and iC12 is developed. Simulated results using this model are then compared to the experimental data obtained in this study and available in the literature, showing its ability to predict the experimental trends. Chemical kinetic analyses have also been conducted to identify the important reaction pathways controlling autoignition at varying conditions, and to elucidate the underlying mechanism leading to different reactivity trends between iC8 and iC12.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analyzing the Validity of Brazilian Testing Using Digital Image Correlation and Numerical Simulation Techniques

Characterizing the mechanical behavior of rocks plays a crucial role to optimize the fracturing process in unconventional reservoirs. However, due to the intrinsic anisotropy and heterogeneity in unconventional resources, fracture process prediction remains the most significant challenge for sustainable and economic hydrocarbon production. During the deformation tracking under compression, deploying conventional methods (strain gauge, extensometer, etc.) is insufficient to measure the deformation since the physical attachment of the device is restricted to the size of the sample, monitoring limited point-wise deformation, producing difficulties in data retrieval, and a tendency to lose track in failure points, etc. Where conventional methods are limited, the application of digital image correlation (DIC) provides detailed and additional information of strain evolution and fracture patterns under loading. DIC is an image-based optical method that records an object with a camera and monitors the random contrast speckle pattern painted on the facing surface of the specimen. To overcome the existing limitations, this paper presents numerical modeling of Brazilian disc tests under quasi-static conditions to understand the full-field deformation behaviors and finally, it is validated by DIC. As the direct tensile test has limitations in sample preparation and test execution, the Brazilian testing principle is commonly used to evaluate indirectly the tensile strength of rocks. The two-dimensional numerical model was built to predict the stress distribution and full-field deformation on Brazilian disc under compression based on the assumptions of a homogenous, isotropic and linear elastic material. The uniaxial compression test was conducted using the DIC technique to determine the elastic properties of Spider Berea sandstone, which were used as inputs for the simulation model. The model was verified by the analytical solution and compared with the digital image correlation. The numerical simulation results showed that the solutions matched reasonably with the analytical solutions where the maximum deviation of stress distribution was obtained as 14.59%. The strain evolution (normal and shear strains) and displacements along the central horizontal and vertical planes were investigated in three distinguishable percentages of peak loads (20%, 40%, and 90%) to understand the deformation behaviors in rock. The simulation results demonstrated that the strain evolution contours consistently matched with DIC generated contours with a reasonable agreement. The changes in displacement along the central horizontal and vertical planes showed that numerical simulation and DIC generated experimental results were repeatable and matched closely. In terms of validation, Brazilian testing to measure the indirect tensile strength of rocks is still an issue of debate. The numerical model of fracture propagation supported by digital image correlation from this study can be used to explain the fracturing process in the homogeneous material and can be extended to non-homogeneous cases by incorporating heterogeneity, which is essential for rock mechanics field applications.

58 GEOSCIENCES↗

Search for supersymmetry with a compressed mass spectrum in the vector boson fusion topology with 1-lepton and 0-lepton final states in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for supersymmetric particles produced in the vector boson fusion topology in proton-proton collisions is presented. The search targets final states with one or zero leptons, large missing transverse momentum, and two jets with a large separation in rapidity. The data sample corresponds to an integrated luminosity of 35.9 fb$^{-1}$ of proton-proton collisions at $\sqrt{s}=$ 13 TeV collected in 2016 with the CMS detector at the LHC. The observed dijet invariant mass and lepton-neutrino transverse mass spectra are found to be consistent with the standard model predictions. Upper limits are set on the cross sections for chargino ($\widetilde\chi_1^\pm$) and neutralino ($\widetilde\chi_2^0$) production with two associated jets. For a compressed mass spectrum scenario in which the $\widetilde\chi_1^\pm$ and $\widetilde\chi_2^0$ decays proceed via a light slepton and the mass difference between the lightest neutralino $\widetilde\chi_1^0$ and the mass-degenerate particles $\widetilde\chi_1^\pm$ and $\widetilde\chi_2^0$ is 1 (30) GeV, the most stringent lower limit to date of 112 (215) GeV is set on the mass of these latter two particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗