Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Additive Construction”

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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: An application to water hexamer

Given a quantum many-body system, the Self-Consistent Phonons (SCP) method provides an optimal harmonic approximation by minimizing the free energy. In particular, the SCP estimate for the vibrational ground state (zero temperature) appears to be surprisingly accurate. We explore the possibility of going beyond the SCP approximation by considering the system Hamiltonian evaluated in the harmonic eigenbasis of the SCP Hamiltonian. It appears that the SCP ground state is already uncoupled to all singly- and doubly-excited basis functions. So, in order to improve the SCP result at least triply-excited states must be included, which then reduces the error in the ground state estimate substantially. For a multidimensional system two numerical challenges arise, namely, evaluation of the potential energy matrix elements in the harmonic basis, and handling and diagonalizing the resulting Hamiltonian matrix, whose size grows rapidly with the dimensionality of the system. Using the example of water hexamer we demonstrate that such calculation is feasible, i.e., constructing and diagonalizing the Hamiltonian matrix in a triply-excited SCP basis, without any additional assumptions or approximations. Our results indicate particularly that the ground state energy differences between different isomers (e.g., cage and prism) of water hexamer are already quite accurate within the SCP approximation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes

The nudged-elastic band (NEB) method is modified with concomitant two climbing images (C2-NEB) to find a transition state (TS) in complex energy landscapes, such as those with a serpentine minimal energy path (MEP). If a single climbing image (C1-NEB) successfully finds the TS, then C2-NEB finds it too. Improved stability of C2-NEB makes it suitable for more complex cases, where C1-NEB misses the TS because the MEP and NEB directions near the saddle point are different. Generally, C2-NEB not only finds the TS, but guarantees, by construction, that the climbing images approach it from the opposite sides along the MEP. In addition, C2-NEB provides an accuracy estimate from the three images: the highest-energy one and its climbing neighbors. C2-NEB is suitable for fixed-cell NEB and the generalized solid-state NEB.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Physics-based, neural network force fields for reactive molecular dynamics: Investigation of carbene formation from [EMIM + ][OAc - ]

Reactive molecular dynamics simulations enable detailed understanding of solvent effects on chemical reaction mechanisms and reaction rates. While classical molecular dynamics using reactive force fields allows significantly longer simulation time scales and larger system sizes compared with ab initio molecular dynamics, constructing reactive force fields is a difficult and complex task. In this work, we describe a general approach following the Empirical Valence Bond (EVB) framework for constructing ab initio reactive force fields for condensed phase simulations by combining physics-based methods with neural networks (PB/NN). The physics-based terms ensure correct asymptotic behavior of electrostatic, polarization, and dispersion interactions, and are compatible with existing solvent force fields. Neural networks are utilized for versatile description of short-range orbital interactions within the transition state region, and accurate rendering of vibrational motion of the reacting complex. Herein, we demonstrate our methodology for a simple deprotonation reaction of the 1-ethyl-3-methylimidazolium (EMIM+) cation with acetate to form 1-ethyl- 3-methylimidazol-2-ylidene and acetic acid. Our PB/NN force field exhibits ~ 1 kJ/mol MAE accuracy within the transition state region for the gas-phase complex. To characterize solvent modulation of the reaction profile, we compute potentials of mean force (PMFs) for the gas-phase reaction as well as the reaction within a four ion cluster, and benchmark against ab initio molecular dynamics simulations. We find that the surrounding ionic environment significantly destabilizes formation of the carbene product, and we show that this effect is accurately captured by the reactive force field. By construction, the PB/NN potential may be directly employed for simulations of other solvents/chemical environments without additional parameterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A comparison of the morphological properties between local and z ∼ 1 infrared luminous galaxies: Are local and high-z (U)LIRGs different?

Ultraluminous and luminous infrared galaxies (ULIRGs and LIRGs) are the most extreme star-forming galaxies in the universe and dominate the total star formation rate density at z > 1. In the local universe (z < 0.3), the majority of ULIRGs and a significant portion of LIRGs are triggered by interactions between gas-rich spiral galaxies, yet it is unclear if this is still the case at high z. To investigate the relative importance of galaxy interactions in infrared luminous galaxies, we carry out a comparison of optical morphological properties between local (U)LIRGs and (U)LIRGs at z = 0.5-1.5 based on the same sample selection, morphology classification scheme, and optical morphology at similar rest-frame wavelengths. In addition, we quantify the systematics in comparing local and high-z data sets by constructing a redshifted data set from local (U)LIRGs, in which its data quality mimics the high-z data set. Based on the Gini-M{sub 20} classification scheme, we find that the fraction of interacting systems decreases by ∼8% from local to z ≲ 1, and it is consistent with the reduction between local and redshifted data sets (6{sub −6}{sup +14}%). Based on visual classifications, the merger fraction of local ULIRGs is found to be ∼20% lower compared to published results, and the reduction due to redshifting is 15{sub −8}{sup +10}%. Consequently, the differences of merger fractions between local and z ≲ 1 (U)LIRGs is only ∼17%. These results demonstrate that there is no strong evolution in the fraction of (U)LIRGs classified as mergers at least out to z ∼ 1. At z > 1, the morphology types of ∼30% of (U)LIRGs cannot be determined due to their faintness in the F814W band; thus, the merger fraction measured at z > 1 suffers from large uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Symmetron inflation

We define a new inflationary scenario in which inflation starts naturally after the Big Bang when the energy density drops below some critical value. As a model, we use recently proposed symmetron field whose effective potential depends on the energy density of the environment. At high densities, right after the Big Bang, the potential for the symmetron is trivial, and the field sits in equilibrium at the bottom of the potential. When the density drops below some critical value, the potential changes its shape into a symmetry breaking potential, and the field starts rolling down. This scenario does not require any special initial conditions for inflation to start. We also construct a concrete model with two fields, i.e. with symmetron as an inflaton and an additional scalar field which describes the matter content in the early universe. For the simplest coupling, the amplitude and shape of the power spectrum are the same as in the single field slow-roll inflation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The PAU Survey: Photometric redshifts using transfer learning from simulations

In this paper, we introduce the DEEPZ deep learning photometric redshift (photo-z) code. As a test case, we apply the code to the PAU survey (PAUS) data in the COSMOS field. DEEPZ reduces the σ68 scatter statistic by 50 percent at iAB = 22.5 compared to existing algorithms. This improvement is achieved through various methods, including transfer learning from simulations where the training set consists of simulations as well as observations, which reduces the need for training data. The redshift probability distribution is estimated with a mixture density network (MDN), which produces accurate redshift distributions. Our code includes an autoencoder to reduce noise and extract features from the galaxy SEDs. It also benefits from combining multiple networks, which lowers the photo-z scatter by 10 percent. Furthermore, training with randomly constructed coadded fluxes adds information about individual exposures, reducing the impact of photometric outliers. In addition to opening up the route for higher redshift precision with narrow bands, these machine learning techniques can also be valuable for broad-band surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Poly[diammonium [diaqua(μ 7 -benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]

Uranyl-carboxylate hybrid materials dominate the catalog of uranyl compounds owing in part to the affinity between COO - functional groups and UO 2 2+ . Polycarboxylate organic ligands may present a degree of steric hindrance and could thus influence the resulting uranyl topology. Single crystals of the title compound, {(NH 4 ) 2 [(UO 2 ) 2 (C 12 O 12 )(H 2 O) 2 ]} n , were synthesized hydrothermally as a result of reacting uranyl nitrate with benzene-1,2,3,4,5,6-hexacarboxylic acid (mellitic acid). The structure is comprised of a single unique monomeric uranyl cation adopting a pentagonal bipyramidal geometry. The uranyl coordination sphere is composed of four O atoms originating from one half of a fully deprotonated mellitic acid ligand and a single water molecule. The observed axial U—O bonds display an average distance of 1.765 (8) Å, whereas equatorial O atoms are found at an average distance of 2.40 (5) Å. All uranium–oxygen bond lengths are in good agreement with literature values. Furthermore, the coordination between the uranyl pentagonal bipyramids and the mellitic acid anion constructs a three-dimensional anionic framework which is charge-balanced with ammonium cations. Additional stabilization of the structure is provided by O—H...O and N—H...O hydrogen bonding interactions between the components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Quantitative ultrasound characterization of locally advanced breast cancer by estimation of its scatterer properties

Purpose: Tumor grading is an important part of breast cancer diagnosis and currently requires biopsy as its standard. Here, the authors investigate quantitative ultrasound parameters in locally advanced breast cancers that can potentially separate tumors from normal breast tissue and differentiate tumor grades. Methods: Ultrasound images and radiofrequency data from 42 locally advanced breast cancer patients were acquired and analyzed. Parameters related to the linear regression of the power spectrum—midband fit, slope, and 0-MHz-intercept—were determined from breast tumors and normal breast tissues. Mean scatterer spacing was estimated from the spectral autocorrelation, and the effective scatterer diameter and effective acoustic concentration were estimated from the Gaussian form factor. Parametric maps of each quantitative ultrasound parameter were constructed from the gated radiofrequency segments in tumor and normal tissue regions of interest. In addition to the mean values of the parametric maps, higher order statistical features, computed from gray-level co-occurrence matrices were also determined and used for characterization. Finally, linear and quadratic discriminant analyses were performed using combinations of quantitative ultrasound parameters to classify breast tissues. Results: Quantitative ultrasound parameters were found to be statistically different between tumor and normal tissue (p < 0.05). The combination of effective acoustic concentration and mean scatterer spacing could separate tumor from normal tissue with 82% accuracy, while the addition of effective scatterer diameter to the combination did not provide significant improvement (83% accuracy). Furthermore, the two advanced parameters, including effective scatterer diameter and mean scatterer spacing, were found to be statistically differentiating among grade I, II, and III tumors (p = 0.014 for scatterer spacing, p = 0.035 for effective scatterer diameter). The separation of the tumor grades further improved when the textural features of the effective scatterer diameter parametric map were combined with the mean value of the map (p = 0.004). Conclusions: Overall, the binary classification results (tumor versus normal tissue) were more promising than tumor grade assessment. Combinations of advanced parameters can further improve the separation of tumors from normal tissue compared to the use of linear regression parameters. While the linear regression parameters were sufficient for characterizing breast tumors and normal breast tissues, advanced parameters and their textural features were required to better characterize tumor subtypes.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

smoothG

smoothG is a collection of parallel C++ classes/functions that algebraically constructs reduced models of different resolutions from a given high-fidelity graph model. In addition, smoothG also provides efficient linear solvers for the reduced models. Other than pure graph problem, the software finds its application in subsurface flow and power grid simulations in which graph Laplacians are found

Barker, AndrewT.↗
DOE OSTI2025

An Agile/XP software development process for modernizing the accelerator control system at Fermilab

Fermilab is undergoing the most ambitious upgrade to its accelerator control system of the 21st century. As part of the ACORN project, hundreds of legacy control system applications written in C/C++ will be re-imagined and developed from the ground up. In addition, applications to support Fermilab’s new super-conducting linear accelerator are already under construction. To manage the development of modern controls applications, the Controls department has adopted an Agile software development process based on eXtreme Programming. In this paper we will describe our process and detail our experience applying it to the development of two case studies.

Diamond, John [Fermilab]↗
DOE OSTI2019

U.S. Fusion D-Li Neutron Irradiation Facility: Fusion Prototypic Neutron Source (FPNS) Technology Study

A primary engineering challenge for the realization of fusion energy involves the development of high-performance structural and plasma-facing materials with dimensional stability and resistance to neutron degradation of mechanical properties. The harsh fusion environment, including high levels of helium production and other transmutation products along with high operating temperatures, poses an extreme challenge for materials. Identifying materials that can withstand these conditions is a high priority for fusion energy research. Critical to resolving this gap in scientific understanding is developing a neutron source facility with the ability to mimic the extreme conditions in a fusion reactor. Working with the Department of Energy (DOE) Office of Fusion Energy Sciences (FES), Oak Ridge National Laboratory (ORNL) and the Virtual Laboratory for Technology (VLT) organized a workshop to discuss the need for a Fusion Prototypic Neutron Source (FPNS). [1] While there are a variety of uses for FPNS neutrons, the main driver of US interest is expanding the scientific understanding of materials degradation in the deuterium-tritium (D-T) fusion environment. FPNS will help build the scientific foundation required to enable design of a next step fusion device. Using specifications from previous projects as a guide, key parameters were agreed upon for a near term, moderate cost US facility that would be complementary to the more extensive plans of the International Fusion Materials Irradiation Facility (IFMIF). Types of facilities that could potentially meet those criteria were identified. A scoping study for three technologies was initiated to answer three critical questions: 1) Can the concept meet the key parameters, 2) What is the estimated cost, and 3) What is the estimated schedule. One approach selected for the scoping study is a D-Li stripping source similar to the design of the IFMIF but at a lower beam power and atomic displacement rate for cost and schedule reasons. The purpose of this report is to document the results of the D-Li stripping source option study, providing answers to the three questions. The approach to generating a fusion prototypic neutron source using a deuteron beam incident on a flowing lithium target has been studied for more than 40 years. As a result of the research and development recently executed primarily in Europe and Japan, the ability of this approach to meet key parameters (damage parameters, irradiation volume) outlined in the US workshop for a near-term, moderate cost fusion prototypic neutron source facility is not in doubt. The main question that must be answered is the cost of such a facility. As a result, a strong focus was placed on understanding alternatives for developing the facility and their relative costs. The project was broken into four components for the cost estimate: the ion source, accelerator, lithium target system, and conventional facilities. The cost of the accelerator is an important cost driver for the D-Li stripping concept. To fully understand the range of the accelerator cost, multiple alternatives were considered including normal conducting and superconducting linacs and the frequency of the radiofrequency quadrupole. Multiple previous design studies dating from 1989 through 2017 were examined (costs were escalated to 2019 dollars) and compared. After analysis, two options were selected for costing, one superconducting and one room temperature. We found similar project costs for the two accelerator options, on the order of $100M including design and project management but excluding contingency. Including everything except the conventional facilities, the estimate for the neutron source facility is estimated to be $220M without contingency. Additional significant costs for the facility are the conventional costs arising from the need to construct buildings for the accelerator and target facilities, bringing electrical power to the site including a new substation, and removing the heat from the facility using heat exchangers. While ORNL would oversee this work, much of the effort would be executed by contractors. Estimates for this effort was based on similar projects that are currently being executed at ORNL or were executed at ORNL in the recent past. The estimate for conventional facilities for the neutron facility is $173M without contingency, bringing the total project cost to $393M without contingency. With a 50% contingency, the estimated cost is $589M. The estimate range was established using guidance from the Association for the Advancement of Cost Engineering (AACE). Specifically, guidance from recommended practice 17R-97 provides insight on the expected accuracy range of estimates based on the degree of project definition and the position of the project in the stage-gate process or maturity timeline. An AACE Class 5 type estimate is appropriate for concept screening. The expected accuracy range includes a low end of -50% to -20% and a high end of +30% to +100% around the estimated cost. For the D-Li stripping neutron source, a -20% to +100% cost range was applied for a recommended cost range of $471M to $1,179M. Less emphasis was placed on determining the project schedule due to the fact that the project costs were large and may eliminate this option from consideration. The development of the accelerator facility may require on the order of five years without contingency. A more realistic schedule with contingency may be seven years. However, this estimate should be scrutinized in a preconceptual design activity if a more realistic estimate is needed. Finally, one lesson learned in this process is that the requirements for a near-term, moderate cost facility drives the alternative selection toward existing facilities and infrastructure. The D-Li stripping neutron source option requires a green field site due to the lack of existing buildings and infrastructure that can be reused for this effort. As a result, the conventional facilities costs are a significant fraction of the total facility cost. Other neutron source options where buildings, electrical power, and cooling infrastructure already exist may be able to meet the requirements for a near term, moderate cost facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Measurement of Magnetic Field using Doppler-Free Saturation Spectroscopy (DFSS) in C-2W FRC Plasma

The Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and TAE Technologies (TAE) focused on implementing an existing mobile Doppler-free saturation spectroscopy (DFSS) diagnostic to determine the direction of the equilibrium magnetic field within TAE’s C-2W field-reversed configuration (FRC) fusion device. Non-perturbative measurements of magnetic fields in the core of FRCs can provide critical information needed to constrain equilibrium models and for the continued advancement of the fusion research program at TAE. DFSS is a well-established, laser-based absorption spectroscopy technique used to suppress inhomogeneous (Doppler) broadening and reveal the Zeeman fine structure of the target emission lines. The collaboration involved the use of ORNL’s recently constructed mobile DFSS diagnostic. The DFSS diagnostic was shipped and installed on C- 2W in February 2023. TAE’s expertise was used to design and construct the mechanic support structures required to mount the optical hardware on C-2W. Additionally TAE provide critical input to minimize the noise imposed on the DFSS signal by vibrations of the mechanic support structure during operations. DFSS data was obtained for over 500 C-2W shots and will continue until the expiration of this CRADA on September 30 th 2023. Over the course of this work, significant progress was made to maximize the signal to noise (SNR) ratio. Analysis of recently acquired data is on-going, however, initial indications are highly suggestive that a DFSS signal above background has been successfully acquired in C-2W.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Highly Insulated Wall Systems with Exterior Insulation of Polyisocyanurate under Different Facer Materials: Material Characterization and Long-Term Hygrothermal Performance Assessment

The application of exterior insulation in both new construction and retrofits is a common practice to enhance the energy efficiency of buildings. In addition to increased thermal performance, the rigid insulation can serve to keep the sheathing board warm and serve as a water-resistive barrier to keep moisture-related problems due to condensation and wind-driven rain. Polyisocyanurate (PIR) rigid boards have a higher thermal resistance in comparison to other commonly used exterior insulation boards. However, because of its perceived lower permeance, its use as exterior insulation is not very common. In this study, the hygrothermal property of PIR boards with different facer types and thicknesses is characterized. The material data obtained through experimental test and extrapolation is used in a long term hygrothermal performance assessment of a wood frame wall with PIR boards as exterior insulation. Results show that PIR with no facer has the smallest accumulated moisture on the sheathing board in comparison to other insulation boards. Walls with a bigger thickness of exterior insulation perform better when no vapor barrier is used. The PIR exterior insulation supports the moisture control strategy well in colder climates in perfect wall scenarios, where there is no air leakage and moisture intrusion. In cases where there is trapped moisture, the sheathing board has a higher moisture content with PIR boards with both aluminum or fiberglass type facers. An innovative facer material development for PIR boards can help efforts targeting improved energy-efficient and durable wall systems.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Eutectic bonding of boron-aluminum structural components. II

Eutectic bonding is a diffusion brazing process developed for fabricating boron-aluminum components from composite monolayer. This process relies on the diffusion of a thin surface film of copper into the aluminum matrix to form a liquid phase when heated above the copper-aluminum eutectic temperature of 1018 F. This type of fabrication offers design flexibility in that skin thickness may be varied, the stiffness geometry and orientation can be varied, and local reinforcement can be added. In addition, this type of boron-aluminum structure offers high efficiency. Also, this method of construction can be cost-comparative with complex titanium shapes; simple tooling permits easy layup, bonding is a one-step operation, and little finish machining is required.

Niemann, J. T.↗
NASA NTRS1980

Low speed propellers: Impact of advanced technologies

Sensitivity studies performed to evaluate the potential of several advanced technological elements on propeller performance, noise, weight, and cost for general aviation aircraft are discussed. Studies indicate that the application of advanced technologies to general aviation propellers can reduce fuel consumption in future aircraft an average of ten percent, meeting current regulatory noise limits. Through the use of composite blade construction, up to 25 percent propeller weight reduction can be achieved. This weight reduction in addition to seven percent propeller efficiency improvements through application of advanced technologies result in four percent reduction in direct operating costs, ten percent reduction in aircraft acquisition cost, and seven percent lower gross weight for general aviation aircraft.

Keiter, I. D.↗
NASA NTRS1983

Light aircraft sound transmission study

The plausibility of using the two microphone sound intensity technique to study noise transmission into light aircraft was investigated. In addition, a simple model to predict the interior sound pressure level of the cabin was constructed.

Heitman, K.↗
NASA NTRS1987

Prototype resupply scheduler

Resupply scheduling for the Space Station presents some formidable logistics problems. One of the most basic problems is assigning supplies to a series of shuttle resupply missions. A prototype logistics expert system which constructs resupply schedules was developed. This prototype is able to reconstruct feasible resupply plans. In addition, analysts can use the system to evaluate the impact of adding, deleting or modifying launches, cargo space, experiments, etc.

Tanner, Steve↗
NASA NTRS1988

Interfacial adhesion: Theory and experiment

Adhesion, the binding of different materials at an interface, is of general interest to many branches of technology, e.g., microelectronics, tribology, manufacturing, construction, etc. However, there is a lack of fundamental understanding of such diverse interfaces. In addition, experimental techniques generally have practical objectives, such as the achievement of sufficient strength to sustain mechanical or thermal effects and/or have the proper electronic properties. In addition, the theoretical description of binding at interfaces is quite limited, and a proper data base for such theoretical analysis does not exist. This presentation will review both experimental and theoretical aspects of adhesion in nonpolymer materials. The objective will be to delineate the critical parameters needed, governing adhesion testing along with an outline of testing objectives. A distinction will be made between practical and fundamental objectives. Examples are given where interfacial bonding may govern experimental consideration. The present status of theory is presented along wiith recommendations for future progress and needs.

Ferrante, John↗