Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “point defect”

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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Novel Effects of Compressed CO 2 Molecules on Structural Ordering and Charge Transport in Conjugated Poly(3-hexylthiophene) Thin Films

We report the effects of compressed CO 2 molecules as a novel plasticization agent for poly(3- hexylthiophene) (P3HT) conjugated polymer thin films. In-situ neutron reflectivity experiment demonstrated the excess sorption of CO 2 molecules in the P3HT thin films (about 40 nm in thickness) at low pressure (P = 8.2 MPa) under the isothermal condition of T = 36 °C, which is far below the polymer bulk melting point. The results evidenced that these CO 2 molecules accelerated the crystallization process of the polymer on the basis of ex-situ grazing incidence Xray diffraction measurements after drying the films via rapid depressurization to atmospheric pressure: not only the out-of-plane lamellar ordering of the backbone chains but also intra-plane π-π stacking of the side chains were significantly improved, when compared to those in the control P3HT films subjected to conventional thermal annealing (at T = 170 °C). Electrical measurements elucidated that the CO 2 -annealed P3HT thin films exhibited enhanced charge carrier mobility along with decreased background charge carrier concentration and trap density compared to those in the thermally annealed counterpart. This is attributed to the CO 2 -induced increase in polymer chain mobility that can drive the detrapping of molecular oxygen and healing of conformational defects in the polymer thin film. Given the universality of the excess sorption of CO 2 regardless of the type of polymers, the present findings suggest that the CO 2 annealing near the critical point can be useful as a robust processing strategy for improving structural and electrical characteristics of other semiconducting conjugated polymers and related systems such as polymer: fullerene bulk heterojunction films.tion films.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Quantification of Wellbore Leakage Risk Using Non-destructive Borehole Logging Techniques

Well integrity is important at all potential CCS locations and may play a crucial role establishing leakage risk in areas where there is a high density of existing wells that could be impacted by the storage operations including depleted petroleum fields where EOR or CCS will occur. To address a need for risk quantification methods that can be directly applied to individual wells using borehole logging tools a study was conducted using data from five wells in Wyoming. The objectives of the study were: Objective 1: Develop methods to establish the baseline flow parameters (porosity and permeability or mobility) from individual measurements of the material properties and defects in a well. Objective 2: Develop a correlation between field flow-property data and cement logs that can be used to establish the flow-properties of well materials and well features using cement mapping tools. Objective 3: Establish a method that uses the flow-property model (Objective 2) to analyze the statistical uncertainties associated with individual well leakage that can provide basis for uncertainty in risk calculations. The project objectives were met through the logging of five wells in Carbon and Natrona County Wyoming to collect data that was used to estimate individual and average well flow properties and model the results using ultrasonic data collected during the logging. Three of the five wells provided data on point and average flow properties for well annuli. Data from the other two wells were used to create models of cement permeability and test whether information collected in one well could be used to characterize another well. The results of the in-situ point measurements were confirmed by the lab measurements sidewall cores collected near the same depths Objective 1 was met using the data collected through logging, testing, and sampling. The methods were developed that can establish baseline flow parameters of wells by both point and average test methods. The methods to estimate the flow properties modeling of point pressure tests, modeling of vertical interference tests, and laboratory measurement of cased-hole sidewall cores The wells were in sufficiently good shape to allow the development of the characterization methods while still having enough defects to study differences in results as they relate to well integrity. Samples and tests analyzed from three of five wells studied in showed the cements were largely intact and had not degraded from exposure native brines. Log results taken in conjunction with the core measurements indicate that interfaces and/or problems with cement placement due to eccentering provide preferential flow paths for fluids, which can increase the effective permeability of the barrier several orders of magnitude above the permeability of intact cement. The results of the maps created using logging tools indicating that the cement condition and bond are generally good identify a need for more research to understand how logs can be used to predicteffective well permeabilities such as those measured by the VITs in this study.

42 ENGINEERING↗
DOE OSTI2020

Growth and Properties of Vapor Diffused Nb3Sn Coating for Superconducting Radiofrequency Accelerator Cavity Applications

The desire to reduce construction and operating costs of future SRF accelerators motivates the search for higher-performing alternative materials. Nb3Sn (Tc ~ 18.3 K and Hsh ~ 425 mT) is the front runner. The tin vapor diffusion process is currently the technique of choice to produce promising Nb3Sn-coated cavities. Understanding Nb3Sn nucleation and growth in this process is essential to progress. Samples representing different stages of Nb3Sn formation have been produced and studied to elucidate the effects of nucleation, growth, process conditions, and impurities. Nb3Sn films with thickness from a few hundred nm up to ~15 µm were grown and characterized. The microscopic examination of samples suggests the mechanisms of thin film nucleation and growth. Broadly, nucleation deposits tin as a thin surface phase and, under some conditions, a few hundred nanometer sized particles as well. Conditions that impair nucleation promote the formation of defects, such as ?patches?, in subsequent coating growth. Analysis of coated samples is consistent with the model of Nb3Sn grown in which tin diffuses via grain boundaries to Nb3Sn-Nb interface, where the growth Nb3Sn into the niobium bulk takes place. Similar scaling laws are found for grain growth and layer thickness. Non-parabolic layer growth is consistent with significant grain growth, which reduces the number of Sn-transport channels. Examination of patchy region in Nb3Sn coating revealed it to be large single crystalline grains, pointing to impeded Nb3Sn layer growth due to low grain boundary density, resulting in a significantly thin coating in those areas. Examination of RF loss regions from a coated cavity, identified with a thermometry mapping system showed patchy regions and carbonus defects were associated with strong local field-dependent surface resistance. RF measurements of coated cavities were combined with material characterization of witness samples and coated-cavity cutouts to improve the coating process. Understanding obtained and applied to cavity coatings, resulted in single-cell Nb3Sn cavities with a quality factor of ~2 ×1010 up to 15 MV/m accelerating gradient at 4 K, without "Wuppertal" Q-slope. We have also produced Nb3Sn-coated CEBAF 5-cell cavities with accelerating gradients useful for accelerator cryomodules. This dissertation will discuss the genesis of the Nb3Sn coating in a typical tin vapor diffusion process, effects of different process parameters, and its consequences to the coating of single-cell and multi-cell SRF cavities.

Pudasaini, Uttar↗
DOE OSTI2018

The Unified Electrochemical Band Diagram Framework: Understanding the Driving Forces of Materials Electrochemistry

Recent work that establishes a picture of the driving forces that govern material transformations and degradation in electrochemical environments to enable the ab initio design of electrochemical materials is highlighted. Select prototype systems are used to describe how the interplay between materials properties such as crystal field splitting, band edge energies, surface termination, material length scale, dielectric constant, and isoelectric point, and electrolyte properties such as pH and ion type, impacts electrochemical behavior - i.e., redox potentials, reaction enthalpies, reactivity, and decoupled ionic/electronic processes. Ab initio modeling of charged defects and intercalants within the grand canonical unified electrochemical band-diagram (UEB) framework is shown to enable the quantitative prediction of electrochemical materials behavior. UEB combines electrochemical theory, charged defect theory, and band diagram descriptions and can be used both for materials discovery and development. First, a pedagogical description of the UEB framework is presented, and then the application of this framework to reveal mechanisms for high rate electronic charge storage in cation incorporated α.-MnO 2 and λ-MnO 2 , high desalination efficiency of thin-film NaMn 4 O 8 , and the flat charge/discharge profile of FePO 4 is reviewed. Finally, new prospects for the application of the UEB framework to electrolyte design, interfacial engineering, and catalysis are suggested.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Bismuth as a Reactive Solvent in the Synthesis of Multicomponent Transition-Metal-Bearing Bismuthides

Employment of liquid bismuth (Bi) allows the facile single-crystal growth of compounds containing elements with high melting points, provided that these elements have reasonably high solubility in Bi. Utilization of the Bi flux approach yielded two new ternary bismuthides, SrNi 0.17(1) Bi 2 [a defect variant of the BaCuSn 2 type, space group Cmcm , α = 4.879(2) Å, b = 17.580(6) Å, and c = 4.696(2) Å] and CaTi 3 Bi 4 [NdTi 3 (Sn 0.1 Sb 0.9 ) 4 structure type, space group Fmmm , a = 5.6295(7) Å, b = 9.8389(1) Å, and c = 23.905(3) Å]. In addition, the ternary antimonide CaV3Sb4, isostructural with CaTi 3 Bi 4 , was synthesized from antimony (Sb) flux, and analyzed with the goal of validating structural assessment of the bismuthide analogue, where the X-ray crystallographic work proved to be very challenging. All synthesized compounds exhibit complex crystal structures featuring quasi-two-dimensional building blocks of different topologies. First-principle calculations reveal hypervalent bonding in the homoatomic Bi subunits. Lastly, physical property measurements indicate metallic conductivity and the absence of localized magnetism in the studied compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Enhancing Reliability of the Weapons Material Waste Disposition Process in the Assembly/Disassembly Operations Facility

High quality weapons material waste dispositioning at Y-12 is crucial to the overall public perception of meeting the CNS government missions. Weapons material waste disposition requirements are an after-thought as perceived by Production personnel. Building waste dispositioning activities in the production system at the point of generation will increase the reliability of meeting requirements daily. The ultimate goal is to build in easy to understand processes at the point of generation in the production work without negatively impacting schedules. Measurements to evaluate sustainability of production processes and ensure reliable information will be suggested. Ultimately, this project is an effort to protect the environment by creating highly reliable weapons material waste dispositioning processes at the point of generation. Defining the process at the point of generation ultimately decreases variation and increases reliability of correctly dispositioning waste. Utilization of an effective and improved weapons material waste dispositioning process will ensure decrease in defective product dispositioning, decrease incorrect disposition of waste, increase set-up times for disposition work, decrease cost of production due to less down time and increase the percentage of waste dispositioning jobs completed in a timely manner.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1993

Experimental investigation of an RNA sequence space

Modern rRNAs are the historic consequence of an ongoing evolutionary exploration of a sequence space. These extant sequences belong to a special subset of the sequence space that is comprised only of those primary sequences that can validly perform the biological function(s) required of the particular RNA. If it were possible to readily identify all such valid sequences, stochastic predictions could be made about the relative likelihood of various evolutionary pathways available to an RNA. Herein an experimental system which can assess whether a particular sequence is likely to have validity as a eubacterial 5S rRNA is described. A total of ten naturally occurring, and hence known to be valid, sequences and two point mutants of unknown validity were used to test the usefulness of the approach. Nine of the ten valid sequences tested positive whereas both mutants tested as clearly defective. The tenth valid sequence gave results that would be interpreted as reflecting a borderline status were the answer not known. These results demonstrate that it is possible to experimentally determine which sequences in local regions of the sequence space are potentially valid 5S rRNAs.

Lee, Youn-Hyung↗
NASA NTRS2007

A Software Platform for Post-Processing Waveform-Based NDE

Ultrasonic, microwave, and terahertz nondestructive evaluation imaging systems generally require the acquisition of waveforms at each scan point to form an image. For such systems, signal and image processing methods are commonly needed to extract information from the waves and improve resolution of, and highlight, defects in the image. Since some similarity exists for all waveform-based NDE methods, it would seem a common software platform containing multiple signal and image processing techniques to process the waveforms and images makes sense where multiple techniques, scientists, engineers, and organizations are involved. This presentation describes NASA Glenn Research Center's approach in developing a common software platform for processing waveform-based NDE signals and images. This platform is currently in use at NASA Glenn and at Lockheed Martin Michoud Assembly Facility for processing of pulsed terahertz and ultrasonic data. Highlights of the software operation will be given. A case study will be shown for use with terahertz data. The authors also request scientists and engineers who are interested in sharing customized signal and image processing algorithms to contribute to this effort by letting the authors code up and include these algorithms in future releases.

Roth, Donald J.↗
DOE OSTI2020

Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides

The ability to predict the likelihood of impurity incorporation and their electronic energy levels in semiconductors is crucial for controlling its conductivity, and thus the semiconductor's performance in solar cells, photodiodes, and optoelectronics. The difficulty and expense of experimental and computational determination of impurity levels makes a data-driven machine learning approach appropriate. In this work, we show that a density functional theory-generated dataset of impurities in Cd-based chalcogenides CdTe, CdSe, and CdS can lead to accurate and generalizable predictive models of defect properties. By converting any semiconductor + impurity system into a set of numerical descriptors, regression models are developed for the impurity formation enthalpy and charge transition levels. These regression models can subsequently predict impurity properties in mixed anion CdX compounds (where X is a combination of Te, Se and S) fairly accurately, proving that although trained only on the end points, they are applicable to intermediate compositions. We make machine-learned predictions of the Fermi-level-dependent formation energies of hundreds of possible impurities in 5 chalcogenide compounds, and we suggest a list of impurities which can shift the equilibrium Fermi level in the semiconductor as determined by the dominant intrinsic defects. Machine learning predictions for the dominating impurities compare well with DFT predictions, revealing the power of machine-learned models in the quick screening of impurities likely to affect the optoelectronic behavior of semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modeling and Characterization of Surface Discharges in Insulating Material for Spacers: Electrode Shape, Discharge Mode, and Revision of the Creepage Concept

In the design of MV AC and DC spacers, the predominant factors are surface and interface conditions. Design is generally carried out on specifications and standards which are based on long-term experience and lab testing. However, the diffusion of power electronics with a trend to increase electric field, switching frequency, and rise time to achieve higher power density calls for an innovative, global approach to optimized insulation system design. A new methodology, based on field simulation, discharge modeling, and partial discharge inception measurements, called the three-leg approach, can form the basis to optimize insulation design for any type of supply voltage waveform. This paper focuses on the influence of the type of electrode on the inception and phenomenology of surface discharges and, as a consequence, on the interpretation of the results used for application of the three-leg approach. It is demonstrated that a typical electrode system used for insulating material testing can generate both gas and surface discharges at the triple point, when the electrodes have a smooth profile that is used to avoid corona or flashover. Hence, testing partial discharge may not provide a straightforward indication of the surface discharge inception and, thus, be partially misleading for insulation design. Another takeover is that such analysis must benefit from PD testing tools endowed with analytics able to provide automatic identification of the type of defect generating PD, i.e., internal, surface, and corona, since design and remedy actions can be taken, and adequate insulating materials developed, only knowing the type of source generating PD. Hence, testing partial discharge may not provide a straightforward indication of surface discharge inception and, thus, be partially misleading for insulation design. In addition to the importance of the three-leg approach to favor reliable and optimized design of insulation systems, there is a clear need to have a PD testing tool endowed with analytics. It should preferably be able to provide automatic identification of the type of defect generating PD, i.e., internal, surface, and corona.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Advanced data mining in field ion microscopy

Field ion microscopy (FIM) allows to image individual surface atoms by exploiting the effect of an intense electric field. Widespread use of atomic resolution imaging by FIM has been hampered by a lack of efficient image processing/data extraction tools. Recent advances in imaging and data mining techniques have renewed the interest in using FIM in conjunction with automated detection of atoms and lattice defects for materials characterization. After a brief overview of existing routines, we review the use of machine learning (ML) approaches for data extraction with the aim to catalyze new data-driven insights into high electrical field physics. Apart from exploring various supervised and unsupervised ML algorithms in this context, we also employ advanced image processing routines for data extraction from large sets of FIM images. The outcomes and limitations of such routines are discussed, and we conclude with the possible application of energy minimization schemes to the extracted point clouds as a way of improving the spatial resolution of FIM.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Giant Dirac point shift of graphene phototransistors by doped silicon substrate current

Graphene is a promising new material for photodetectors due to its excellent optical properties and high-speed response. However, graphene-based phototransistors have low responsivity due to the weak light absorption of graphene. We have observed a giant Dirac point shift upon white light illumination in graphene-based phototransistors with n-doped Si substrates, but not those with p-doped substrates. The source-drain current and substrate current were investigated with and without illumination for both p-type and n-type Si substrates. The decay time of the drain-source current indicates that the Si substrate, SiO{sub 2} layer, and metal electrode comprise a metal-oxide-semiconductor (MOS) capacitor due to the presence of defects at the interface between the Si substrate and SiO{sub 2} layer. The difference in the diffusion time of the intrinsic major carriers (electrons) and the photogenerated electron-hole pairs to the depletion layer delays the application of the gate voltage to the graphene channel. Therefore, the giant Dirac point shift is attributed to the n-type Si substrate current. This phenomenon can be exploited to realize high-performance graphene-based phototransistors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Interactions Enhance Ramp Reversal Memory in Locally Phase Separated Materials

The ramp-reversal memory (RRM) effect in metal–insulator transition metal oxides (TMOs), a non-volatile resistance change induced by repeated temperature cycling, has attracted considerable interest in neuromorphic computing and non-volatile memory devices. Our previous defect motion model successfully explained RRM in vanadium dioxide (VO 2 ), capturing observed critical temperature shifts and memory accumulation throughout the sample. However, this approach lacked interactions between metallic and insulating domains. Here, we extend our model by combining a correlated Random Field Ising Model with defect diffusion-segregation, enabling accurate hysteresis modeling while predicting the relationship between RRM and domain interactions. Our simulations demonstrate that the maximum RRM occurs when the turnaround temperature approaches the inflection point. This peak in RRM vs. turnaround temperature is consistent with prior transport measurements, as well as our own optical measurements reported here. Significantly, we find that increasing nearest-neighbor interactions enhances the maximum memory effect, thus providing a clear mechanism for optimizing RRM performance. Since our model employs minimal assumptions, we predict that RRM should be a widespread phenomenon in materials exhibiting patterned phase coexistence of electronic domains. This work not only advances fundamental understanding of memory behavior in TMOs but also establishes a much-needed theoretical framework for optimizing device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The reason for a high Ca2+-sensitivity associated with Arg91Gly substitution in TPM2 gene is the abnormal behavior and high flexibility of tropomyosin during the ATPase cycle

Highlights: • Mutation R91G initiates abnormally high flexibility of β-tropomyosin (TM). • Troponin moves R91G-TM to the blocked position at low Ca{sup 2+}. • This mutation does not alter the ability of troponin to switch off actin monomers. • R91G-TM is located near the open position during the ATPase cycle at low Ca{sup 2+}. • Mutation R91G increases the fraction of rigor myosin heads at low Ca{sup 2+}. Substitution of Arg for Gly residue in 91th position in β-tropomyosin caused by a point mutation in TPM2 gene is associated with distal arthrogryposis, characterized by a high Ca{sup 2+}-sensitivity of myofilament and contracture syndrome. To understand the mechanisms of this defect, we studied multistep changes in mobility and spatial arrangement of tropomyosin, actin and myosin heads during the ATPase cycle in reconstituted ghost fibres, using the polarized fluorescence microscopy. The mutation was shown to markedly decrease the bending stiffness of β-tropomyosin in the thin filaments. In the absence of the myosin heads the mutation did not alter the ability of troponin to shift tropomyosin to the blocked position and to switch actin monomers off at low Ca{sup 2+}. During the ATPase cycle the movement of the mutant tropomyosin is restrained, it is located near the open position, which allows strong binding of the myosin heads to actin even at low Ca{sup 2+}. This may be the reason for both high Ca{sup 2+}-sensitivity and contractures associated with the Arg91Gly mutation. The use of reagents that decrease the Ca{sup 2+}sensitivity of the troponin complex may not be appropriate to restore muscle function in patients with this mutation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Post-Closure Inspection Report for the Tonopah Test Range, Nevada: For Calendar Year 2017, Revision 0

This report provides the results of the annual post-closure inspections conducted at the closed corrective action units (CAUs) located on the Tonopah Test Range (TTR) and the Nevada Test and Training Range (NTTR). This report covers calendar year 2017 and includes visual inspection and repair activities completed at the following CAUs: CAU 400: Bomblet Pit and Five Points Landfill (TTR) CAU 407: Roller Coaster RadSafe Area (TTR) CAU 424: Area 3 Landfill Complexes (TTR) CAU 453: Area 9 UXO Landfill (TTR) CAU 487: Thunderwell Site (TTR) Visual inspections were conducted according to the post-closure plans in the approved closure reports and subsequent correspondence with the Nevada Division of Environmental Protection. The annual post-closure inspections were conducted on May 23, 2017. No maintenance or repair issues were noted at CAU 400 and CAU 487. Maintenance items and subsequent repairs include the following: CAU 407: A large animal burrow was observed in the southeast corner of the cover during the inspection. Two additional animal burrows were discovered during repair actions. All cover defects were repaired on January 9, 2018. CAU 424: CAS 03-08-002-A304 (Landfill Cell A3-4): A new monument was installed and the subsidence area was repaired on January 9, 2018. CAU 424: CAS 03-08-002-A308 (Landfill Cell A3-8): Lava rock, used to mark the two eastern monument locations, was noted as missing during the inspection. The lava rock was replaced on January 9, 2018. CAU 453: Five large animal burrows, located near the east–central portion of cover, was noted during the inspection. Eight additional animal burrows were discovered during repair actions. All cover defects were repaired on January 9, 2018.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2005

Microwave and Millimeter Wave Imaging Using Synthetic Aperture Focusing and Holographical Techniques

Microwave and millimeter wave nondestructive testing and evaluation (NDT&E) methods have shown great potential for determining material composition in composite structures, determining material thickness or debond thickness between two layers, and determining the location and size of flaws, defects, and anomalies. The same testing methods have also shown great potential to produce relatively high-resolution images of voids inside Spray On Foam Insulation (SOFI) test panels using real focused methods employing lens antennas. An alternative to real focusing methods are synthetic focusing methods. The essence of synthetic focusing is to match the phase of the scattered signal to measured points spaced regularly on a plane. Many variations of synthetic focusing methods have already been developed for radars, ultrasonic testing applications, and microwave concealed weapon detection. Two synthetic focusing methods were investigated; namely, a) frequency-domain synthetic aperture focusing technique (FDSAFT), and b) wide-band microwave holography. These methods were applied towards materials whose defects were of low dielectric contrast like air void in SOFI. It is important to note that this investigation used relatively low frequencies from 8.2 GHz to 26.5 GHz that are not conducive for direct imaging of the SOFI. The ultimate goal of this work has been to demonstrate the capability of these methods before they are applied to much higher frequencies such as the millimeter wave frequency spectrum (e.g., 30-300 GHz).

Case, Joseph Tobias↗
DOE OSTI2017

Surface topography and crystal and domain structures of films of ferroelectric copolymer of vinylidene difluoride and trifluoroethylene

The crystallization of a copolymer from a solution at room temperature is found to lead to the formation of a metastable structure, characterized by the coexistence of ferroelectric and paraelectric phases. The fraction of the latter decreases after annealing above the Curie point. Atomic force microscopy (AFM) has revealed a difference in the surface topographies between the films contacting with air and the films contacting with a glass substrate. The microstructure of copolymer chains has been investigated by {sup 19}F NMR spectroscopy. The chain fragments with “defect” attached monomeric units are ejected to the surface. The character of the ferroelectric domains formed during crystallization and their size distribution are analyzed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗