Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “STATISTICAL MECHANICS”

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 1,351 records · Page 75

Prediction and monitoring of clear air turbulence: An evaluation of the applicability of the rawinsonde system

The applicability of rawinsonde data for either detection or prediction of clear air turbulence is discussed. The mechanism currently believed responsible for the development of CAT is reviewed. Since previous studies determined that the most significant factor for the existence of turbulent layers is the magnitude of the vertical shear, certain theoretically derived shear criteria was applied to statistical and diagnostic comparisons of rawinsonde and Jimsphere/Jimsonde conjunctive vertical profiles. It is determined that the Rawinsonde system cannot reliably be used as a CAT detector in a single-station sense.

Keller, J. L.↗

Thematic mapper data quality and performance assessment in renewable resource/agricultural remote sensing

A "quick look" investigation of the initial LANDSAT-4, thematic mapper (TM) scene received from Goddard Space Flight Center was performed to gain early insight into the characteristics of TM data. The initial scene, containing only the first four bands of the seven bands recorded by the TM, was acquired over the Detroit, Michigan, area on July 20, 1982. It yielded abundant information for scientific investigation. A wide variety of studies were conducted to assess all aspects of TM data. They ranged from manual analyses of image products to detect obvious optical, electronic, or mechanical defects to detailed machine analyses of the digital data content for evaluation of spectral separability of vegetative/nonvegetative classes. These studies were applied to several segments extracted from the full scene. No attempt was made to perform end-to-end statistical evaluations. However, the output of these studies do identify a degree of positive performance from the TM and its potential for advancing state-of-the-art crop inventory and condition assessment technology.

Erickson, J. D.↗

Microwave remote sensing: Active and passive. Volume 2 - Radar remote sensing and surface scattering and emission theory

The fundamental principles of radar backscattering measurements are presented, including measurement statistics, Doppler and pulse discrimination techniques, and associated ambiguity functions. The operation of real and synthetic aperture sidelooking airborne radar systems is described, along with the internal and external calibration techniques employed in scattering measurements. Attention is given to the physical mechanisms responsible for the scattering emission behavior of homogeneous and inhomogeneous media, through a discussion of surface roughness, dielectric properties and inhomogeneity, and penetration depth. Simple semiempirical models are presented. Theoretical models involving greater mathematical sophistication are also given for extended ocean and bare soil surfaces, and the more general case of a vegetation canopy over a rough surface.

Ulaby, F. T.↗

Low cycle fatigue behavior of aluminum/stainless steel composites

Composites consisting of an aluminum matrix reinforced with various volume fractions of stainless steel wire were fabricated by hot die pressing under various conditions of temperature, time, and pressure. The composites were tested in plane bending to complete fracture under cycle loading, and the results were analyzed on a computer to obtain a statistically valid mathematical relationship between the low-cycle fatigue life and the fiber volume fraction of the composite. The fractured surfaces of the composites were examined by scanning electron microscopy to identify the characteristic features of fatigue damage. Fatigue damage mechanisms are proposed and discussed.

Bhagat, R. B.↗

Methods for assessing the structural reliability of brittle materials

Failure from contact-induced surface flaws is considered along with controlled indentation flaws for construction of toughness and fatigue master maps, fatigue properties of ceramics with natural and controlled flaws, and a statistical analysis of size and stress state effects on the strength of an alumina ceramic. Attention is also given to dynamic and static fatigue of a machinable glass ceramic, the effect of multiregion crack growth on proof testing, and a fracture mechanics analysis of defect sizes. Other topics explored are related to the effect of temperature and humidity on delayed failure of optical glass fibers, subthreshold indentation flaws in the study of fatigue properties of ultrahigh-strength glass, the lifetime prediction for hot-pressed silicon nitride at high temperatures, static fatigue in high-performance ceramics, and requirements for flexure testing of brittle materials.

Freiman, S. W.↗

Sea surface temperature anomalies, planetary waves, and air-sea feedback in the middle latitudes

Current analytical models for large-scale air-sea interactions in the middle latitudes are reviewed in terms of known sea-surface temperature (SST) anomalies. The scales and strength of different atmospheric forcing mechanisms are discussed, along with the damping and feedback processes controlling the evolution of the SST. Difficulties with effective SST modeling are described in terms of the techniques and results of case studies, numerical simulations of mixed-layer variability and statistical modeling. The relationship between SST and diabatic heating anomalies is considered and a linear model is developed for the response of the stationary atmosphere to the air-sea feedback. The results obtained with linear wave models are compared with the linear model results. Finally, sample data are presented from experiments with general circulation models into which specific SST anomaly data for the middle latitudes were introduced.

Frankignoul, C.↗

The NASA Low-Pressure Turbine Flow Physics Program

An overview of the NASA Lewis Low-Pressure Turbine (LPT) Flow Physics Program will be presented. The program was established in response to the aero-engine industry's need for improved LPT efficiency and designs. Modern jet engines have four to seven LPT stages, significantly contributing to engine weight. In addition, there is a significant efficiency degradation between takeoff and cruise conditions, of up to 2 points. Reducing the weight and part count of the LPT and minimizing the efficiency degradation will translate into fuel savings. Accurate prediction methods of LPT flows and losses are needed to accomplish those improvements. The flow in LPT passages is at low Reynolds number, and is dominated by interplay of three basic mechanisms: transition, separation and wake interaction. The affecting parameters traditionally considered are Reynolds number, freestream turbulence intensity, wake frequency parameter, and the pressure distribution (loading). Three-dimensional effects and additional parameters, particularly turbulence characteristics like length scales, spectra and other statistics, as well as wake turbulence intensity and properties also play a role. The flow of most interest is on the suction surface, where large losses are generated as the flow tends to separate at the low Reynolds numbers. Ignoring wakes, a common flow scenario, there is laminar separation, followed by transition on the separation bubble and turbulent reattachment. If transition starts earlier the separation will be eliminated and the boundary layer will be attached leading to the well known bypass transition issues. In contrast, transition over a separation bubble is closer to free shear layer transition and was not investigated as well, particularly in the turbine environment. Unsteadiness created by wakes complicates the picture. Wakes induce earlier transition, and the calmed regions trailing the induced turbulent spots can delay or eliminate separation via shear stress modification. Three-dimensional flow physics and geometry will have strong effects. Altogether a very complex and challenging problem emerges. The objective of the program is to provide improved models and physical understanding of the complex flow, which are essential for accurate prediction of flow and losses in the LPT. Experimental, computational and analytical work as complementing and augmenting approaches are used. The program involves industry, universities and research institutes, and other government laboratories. It is characterized by strong interaction among participants, quick dissemination of results, and responsiveness to industry's needs. The presentation will describe the work elements. Highlighting some activities in progress are experiments on simulated blade suction surface in low-speed wind tunnels, on curved wall, and on a flat-plate, both with pressure gradient. In the area of computation, assessment of existing models is performed using RANS (Reynolds Averaged Navier Stokes) simulations. Laminar flow DNS was completed. Analytical studies of instability and receptivity in attached and separated flows were started. In the near future the program is moving to include wake effects and development of improved modeling. Experimental work in preparation stages are: (1) Addition of wakes to the curved tunnel experiment; (2) Low-speed rotating rig experiment on GE90 engine LPT; and (3) Transonic cascade. In the area of computation, it is expected to move from model assessment towards development of improved models. In addition, a new project of Large Eddy Simulation (LES) of LPT is to begin and will provide numerical data bases. It is planned to implement the emerging improved models in a multistage turbomachinery code and to validate against the GE90 engine LPT.

Ashpis, David E.↗

Skeletal Phenotype of Transgenic Mice Expressing the Beta1 Integrin Cytoplasmic Tail In Osteoblasts

To define the physiologic role of beta1 integrin in bone formation and mechanical loading, transgenic mice were generated by expressing the cytoplasmic tall and transmembrane domain of Beta1 integrin under the control of the osteocalcin promoter. In cultured cells, this truncated fragment of Beta1 can act as a dominant negative. Previously, the matrix of calvariae was shown to be abnormal in transgenic (TG) compared to wildtype (WT) mice. In this study, we analyzed appendicular bone in TG and WT, male and female mice at 14, 35, 63, 90 and 365 days old (n=8-12/gp). To assess beta1 integrin function in mechanical loading, a pilot study using hindlimb unloading by tail suspension was performed. 35d old TG and WT females were hindlimb unloaded for 4 wks (n=3-5). Body mass, bone mineral content, histomorphometric (distal femur) and biomechanical parameters were analyzed. Statistical significance (P less than.05) was defined by ANOVA using the Tukey-Kramer post-hoc test. We confirmed transgene expression by immunoprecipitating then immunoblotting bone lysates using an antibody against the beta1 tail. Body masses of TG mice at 63, 90 and 365d old were greater (16-25%) than WT. Some TG female mice at 365d appeared obese; mean abdominal fat mass was 415% greater in TG than WT mice. Tibiae were longer (5-7%) in TG than WT mice at 63 and 90d. Tibial mineral mass of 35d males was 7% lower in TG than WT mice, but at 63d was 21% higher. The % osteoblast surface in 35d TG mice was 20% higher than WT, and at 63d was 17% lower, while % osteoclast surface did not differ. In 365d mice, cancellous bone volume (125%) and endocortical mineral apposition rate (40%) were greater in TG than WT males but not females. In WT mice, hindlimb unloading caused a reduction in mineral mass of tibiae (-20%) and lumbar vertebrae (-22%) relative to normally loaded controls. Surprisingly, hindlimb unloading also caused a relative reduction (-13%) in humerus mass. The effects of hindlimb unloading on tibia and humerus mass were less obvious in TG than in WT mice. Since hindlimb unloading caused skeletal changes in both loaded and unloaded bones, systemic changes may contribute to bone responses observed using this animal model. In conclusion, transgene expression resulted in marked metabolic changes during growth and in the aged female. Our results demonstrate that expression of the Beta1 integrin cytoplasmic tail in vivo causes gender- and age-specific changes in select morphometric parameters, bone length, and bone mass.

Globus, R. K.↗

Linear spectropolarimetry of 35 Type Ia supernovae with VLT/FORS: an analysis of the Si$\small {II}$ line polarization

Spectropolarimetry enables us to measure the geometry and chemical structure of the ejecta in supernova explosions, which is fundamental for the understanding of their explosion mechanism(s) and progenitor systems. We collected archival data of 35 Type Ia supernovae (SNe Ia), observed with Focal Reducer and Low-Dispersion Spectrograph (FORS) on the Very Large Telescope at 127 epochs in total. We examined the polarization of the Si ιι λ6355 Å line ($p_{\rm Si\, \small {II}}$) as a function of time, which is seen to peak at a range of various polarization degrees and epochs relative to maximum brightness. We reproduced the $\Delta m_{15}\!-\!p_{\rm Si\, \small {II}}$ relationship identified in a previous study, and show that subluminous and transitional objects display polarization values below the $\Delta m_{15}\!-\!p_{\rm Si\, \small {II}}$ relationship for normal SNe Ia. We found a statistically significant linear relationship between the polarization of the Si ii λ6355 Å line before maximum brightness and the Si ιι line velocity and suggest that this, along with the $\Delta m_{15}\!-\!p_{\rm Si\, \small {II}}$ relationship, may be explained in the context of a delayed-detonation model. In contrast, we compared our observations to numerical predictions in the $\Delta m_{15}\!-\!v_{\rm Si\, \small {II}}$ plane and found a dichotomy in the polarization properties between Chandrasekhar and sub-Chandrasekhar mass explosions, which supports the possibility of two distinct explosion mechanisms. A subsample of SNe displays evolution of loops in the q–u plane that suggests a more complex Si structure with depth. This insight, which could not be gleaned from total flux spectra, presents a new constraint on explosion models. To conclude, we compared our statistical sample of the Si ιι polarization to quantitative predictions of the polarization levels for the double-detonation, delayed-detonation, and violent-merger models.

79 ASTRONOMY AND ASTROPHYSICS↗

OSO 8 observational limits to the acoustic coronal heating mechanism

An improved analysis of time-resolved line profiles of the C IV resonance line at 1548 A has been used to test the acoustic wave hypothesis of solar coronal heating. It is shown that the observed motions and brightness fluctuations are consistent with the existence of acoustic waves. Specific account is taken of the effect of photon statistics on the observed velocities, and a test is devised to determine whether the motions represent propagating or evanescent waves. It is found that on the average about as much energy is carried upward as downward such that the net acoustic flux density is statistically consistent with zero. The statistical uncertainty in this null result is three orders of magnitue lower than the flux level needed to heat the corona.

Bruner, E. C., Jr.↗

Rapid Allylic 1,6 H-Atom Transfer in an Unsaturated Criegee Intermediate

Here, a novel allylic 1,6 hydrogen-atom-transfer mechanism is established through infrared activation of the 2-butenal oxide Criegee intermediate, resulting in very rapid unimolecular decay to hydroxyl (OH) radical products. A new precursor, Z/E -1,3-diiodobut-1-ene, is synthesized and photolyzed in the presence of oxygen to generate anew four-carbon Criegee intermediate with extended conjugation across the vinyl and carbonyl oxide groups that facilitates rapid allylic 1,6 H-atom transfer. A low-energy reaction pathway involving isomerization of 2-butenal oxide from a lower-energy ( tZZ ) conformer to a higher-energy ( cZZ ) conformer followed by 1,6 hydrogen transfer via a seven-membered ring transition state is predicted theoretically and shown experimentally to yield OH products. The low-lying ( tZZ ) conformer of 2-butenaloxide is identified based on computed an harmonic frequencies and intensities of its conformers. Experimental IR action spectra recorded in the fundamental CH stretch region with OH product detection by UV laser-induced fluorescence reveal a distinctive IR transition of the low-lying ( tZZ ) conformer at 2996 cm -1 that results in rapid unimolecular decay to OH products. Statistical RRKM calculations involving a combination of conformational isomerization and unimolecular decay via 1,6 H-transfer yield an effective decay rate k eff ( E ) on the order of 10 8 s -1 at ca. 3000 cm -1 in good accord with the experiment. Unimolecular decay proceeds with significant enhancement due to quantum mechanical tunneling. A rapid thermal decay rate of ca. 10 6 s -1 is predicted by master-equation modeling of 2-butenal oxide at 298 K, 1 bar. This novel unimolecular decay pathway is expected to increase the nonphotolytic production of OH radicals upon alkene ozonolysis in the troposphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Carbon nanotube (CNT) metal composites exhibit greatly reduced radiation damage

Radiation damage of structural materials leads to mechanical property degradation, eventually inducing failure. Secondary-phase dispersoids or other radiation defect sinks are often added to materials to boost their radiation resistance. We demonstrate that a metal composite made by adding 1D carbon nanotubes (CNTs) to aluminum (Al) exhibits superior radiation resistance. In situ ion irradiation with transmission electron microscopy (TEM) and atomistic simulations together reveal the mechanisms of rapid defect migration to CNTs, facilitating defect recombination and enhancing radiation tolerance. The origin of this effect is an evolving stress gradient in the Al matrix resulting from CNT transformation under irradiation, and the stability of resulting carbides. Extreme value statistics of large defect behavior in our simulations highlight the role of CNTs in reducing accumulated damage. Furthermore, this approach to controlling defect migration represents a promising opportunity to enhance the radiation resistance of nuclear materials without detrimental effects.

36 MATERIALS SCIENCE↗

Electronic structure and optical properties of quantum crystals from first principles calculations in the Born–Oppenheimer approximation

In this work, we develop a formalism to accurately account for the renormalization of the electronic structure due to quantum and thermal nuclear motions within the Born–Oppenheimer approximation. We focus on the fundamental energy gap obtained from electronic addition and removal energies from quantum Monte Carlo calculations in either the canonical or grand-canonical ensembles. The formalism applies as well to effective single electron theories such as those based on density functional theory. We show that the electronic (Bloch) crystal momentum can be restored by marginalizing the total electron–ion wave function with respect to the nuclear equilibrium distribution, and we describe an explicit procedure to establish the band structure of electronic excitations for quantum crystals within the Born–Oppenheimer approximation. Based on the Kubo–Greenwood equation, we discuss the effects of nuclear motion on optical conductivity. Our methodology applies to the low temperature regime where nuclear motion is quantized and, in general, differs from the semi-classical approximation. We apply our method to study the electronic structure of C2/c-24 crystalline hydrogen at 200 K and 250 GPa and discuss the optical absorption profile of hydrogen crystals at 200 K and carbon diamond at 297 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states

We report molecular-orbital-based machine learning (MOB-ML) provides a general framework for the prediction of accurate correlation energies at the cost of obtaining molecular orbitals. The application of Nesbet’s theorem makes it possible to recast a typical extrapolation task, training on correlation energies for small molecules and predicting correlation energies for large molecules, into an interpolation task based on the properties of orbital pairs. We demonstrate the importance of preserving physical constraints, including invariance conditions and size consistency, when generating the input for the machine learning model. Numerical improvements are demonstrated for different datasets covering total and relative energies for thermally accessible organic and transition-metal containing molecules, non-covalent interactions, and transition-state energies. MOB-ML requires training data from only 1% of the QM7b-T dataset (i.e., only 70 organic molecules with seven and fewer heavy atoms) to predict the total energy of the remaining 99% of this dataset with sub-kcal/mol accuracy. This MOB-ML model is significantly more accurate than other methods when transferred to a dataset comprising of 13 heavy atom molecules, exhibiting no loss of accuracy on a size intensive (i.e., per-electron) basis. It is shown that MOB-ML also works well for extrapolating to transition-state structures, predicting the barrier region for malonaldehyde intramolecular proton-transfer to within 0.35 kcal/mol when only trained on reactant/product-like structures. Finally, the use of the Gaussian process variance enables an active learning strategy for extending the MOB-ML model to new regions of chemical space with minimal effort. We demonstrate this active learning strategy by extending a QM7b-T model to describe non-covalent interactions in the protein backbone–backbone interaction dataset to an accuracy of 0.28 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

GPU Lifetimes on Titan Supercomputer: Survival Analysis and Reliability

The Cray XK7 Titan was the top supercomputer system in the world for a long time and remained critically important throughout its nearly seven year life. It was an interesting machine from a reliability viewpoint as most of its power came from 18,688 GPUs whose operation was forced to execute three rework cycles, two on the GPU mechanical assembly and one on the GPU circuitboards. We write about the last rework cycle and a reliability analysis of over 100,000 years of GPU lifetimes during Titan’s 6-year-long productive period. Using time between failures analysis and statistical survival analysis techniques, we find that GPU reliability is dependent on heat dissipation to an extent that strongly correlates with detailed nuances of the cooling architecture and job scheduling. We describe the history, data collection, cleaning, and analysis and give recommendations for future supercomputing systems. We make the data and our analysis codes publicly available.

Ostrouchov, George↗

Residential Building Energy Efficiency Field Studies: Low-Rise Multifamily

In recent years, the U.S. Department of Energy (DOE) has conducted a series of research studies to validate energy efficient building technologies in the field. Much of the work has focused on single-family construction, and some has also addressed commercial energy codes. The work detailed in this DOE-funded study (EE0007616) focuses on low-rise multifamily buildings (three stories or fewer above grade) in various regions of the United States, and reports on how state-level building codes are being implemented, both in terms of observed characteristics and also in terms of estimated energy impacts. Nearly 100 buildings across four states—Illinois, Minnesota, Oregon, and Washington—were sampled, which represent a range of climate types from mild temperature to very cold continental. Both common entry and outdoor entry buildings were included, and a parallel research project evaluated envelope air tightness and current still-evolving air tightness testing methods. Finally, a set of structured interviews of building designers and other relevant professionals was carried to out to gain more insight into this market. To the greatest extent possible, the methodology developed under the project for low-rise multifamily buildings mirrored the approach established by Pacific Northwest National Laboratory (PNNL) for single-family residential buildings (https://www.energy.gov/eere/buildings/downloads/residential-building-energy-code-field-study). This included the general approach to sampling, recruitment, and data collection, as well as data analysis and presentation. The range of permitting dates for the sites encompassed two energy code cycles in most regions. All states in the study had adopted a variation of the International Energy Conservation Code (IECC) for the structure of their state code. The low-rise multifamily occupancy presents a hybrid building type: most of the building’s conditioned floor area was covered by the residential chapter of the code while portions of the building (such as corridors and common spaces) fell under the commercial code chapter. The key items assessed in this work were: Building Shell—exterior wall insulation, ceiling insulation, foundation insulation, windows. Common Areas—HVAC and lighting. Living Units—lighting, ventilation. A few items were not assessed in detail, given their relative paucity in this occupancy type; these included duct leakage, pipe insulation, and hot water circulation controls. Building characteristics were collected via a combination of architectural, mechanical, electrical, and plumbing plan reviews and field inspections, and entered into a spreadsheet-based tool that was later queried to build a database. Data went through quality control both upon arrival and via a later semi-automated review and assurance process. Most of the data are presented graphically so that the reader can quickly assess compliance with the applicable energy codes (both by state and by code year). As a final step, EnergyPlus™ simulations were created for all buildings in the study to estimate both the as-found energy use intensity (EUI) and the energy and CO 2 that could be saved if features that were found to not meet code minimums were brought up to code. The savings estimates were tabulated for each of the four states in the study. The research team found that the single-family approach was largely applicable to low-rise multifamily buildings. This applies to both the data collection and the prototype EUI analysis. Most of the occupied space is living units and falls under residential energy codes, and many characteristics use similar envelope construction and relatively straightforward mechanical systems and lighting. One of the most challenging aspects of this work was to build an effective spreadsheet-based data collection instrument that could allow efficient collection of both building plan and field data. The research team is of the view that other methods could be equally effective if the work is done carefully with diligent quality control. The primary findings for the work center around the thermal envelope and mechanical systems and lighting at the sites: For thermal envelope components, the majority of buildings met or were better than the prescriptive code.This suggests that building designers and builders are aware of code requirements. In some cases, surveyed buildings were designed to qualify for energy efficiency certification programs. These buildings made up at least 20% of sampled buildings in each state. Almost all buildings met mechanical system efficiency requirements (for both living units and common areas). In some cases, sites employed systems that were considerably more efficient than required by the applicable energy code. Dwelling units had a majority of high-efficacy lighting, often in excess of the state’s residential code requirements. While high-efficacy fixtures were also typical in common areas (corridors and stairwells), lighting power densities (LPDs) in these areas were sometimes higher than levels dictated by the applicable part of the state commercial energy code. The simulation models run on a series of low-rise multifamily prototypes, informed by a composite of the field data collected, calculated annual EUIs of between 20 and 50 kBtu/ft2-yr, with the range representing the effects of both building characteristics and building location (climate zone). A detailed process (based on simulations of prototype buildings) was used to estimate the amount of avoided energy use that would occur if 100% adherence to energy codes were attained. The results indicated modest savings are attainable for items such as window thermal performance and common area lighting. The result is overall only a modest potential for additional energy savings, averaging about 10% of EUI.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Interstellar cloud material - Contribution to planetary atmospheres

A statistical analysis of the properties of dense interstellar clouds indicates that the solar system has encountered at least a dozen clouds of sufficient density to cause planets to accumulate nonnegligible amounts of some isotopes. The effect is most pronounced for neon. This mechanism could be responsible for much of the neon in Earth's atmosphere. For Mars, the predicted amount of neon added by cloud encounters greatly exceeds the present abundance.

Butler, D. M.↗