Electrode-active material for electrochemical batteries and method of preparation

DOEpatents

Varma, Ravi

1987-01-01

A battery electrode material comprising a non-stoichiometric electrode-active material which forms a redox pair with the battery electrolyte, an electrically conductive polymer present in the range of from about 2% by weight to about 5% by weight of the electrode-active material, and a binder. The conductive polymer provides improved proton or ion conductivity and is a ligand resulting in metal ion or negative ion vacancies of less than about 0.1 atom percent. Specific electrodes of nickel and lead are disclosed.

Atomic oxygen effects measurements for shuttle missions STS-8 and 41-G

NASA Technical Reports Server (NTRS)

Visentine, James T. (Compiler)

1988-01-01

The effects of the atomic oxygen interactions upon optical coatings, thin metallized films, and advanced spacecraft materials, such as high temperature coatings for infrared optical systems are summarized. Also included is a description of a generic model proposed by JPL, which may explain the atomic oxygen interaction mechanisms that lead to surface recession and weight loss.

Plasma processes for producing silanes and derivatives thereof

DOEpatents

Laine, Richard M; Massey, Dean Richard; Peterson, Peter Young

2014-03-25

The invention is generally related to process for generating one or more molecules having the formula Si.sub.xH.sub.y, Si.sub.xD.sub.y, Si.sub.xH.sub.yD.sub.z, and mixtures thereof, where x,y and z are integers .gtoreq.1, H is hydrogen and D is deuterium, such as silane, comprising the steps of: providing a silicon containing material, wherein the silicon containing material includes at least 20 weight percent silicon atoms based on the total weight of the silicon containing material; generating a plasma capable of vaporizing a silicon atom, sputtering a silicon atom, or both using a plasma generating device; and contacting the plasma to the silicon containing material in a chamber having an atmosphere that includes at least about 0.5 mole percent hydrogen atoms and/or deuterium atoms based on the total moles of atoms in the atmosphere; so that a molecule having the formula Si.sub.xH.sub.y; (e.g., silane) is generated. The process preferably includes a step of removing one or more impurities from the Si.sub.xH.sub.y (e.g., the silane) to form a clean Si.sub.xH.sub.y, Si.sub.xD.sub.y, Si.sub.xH.sub.yD.sub.z (e.g., silane). The process may also include a step of reacting the Si.sub.xH.sub.y, Si.sub.xD.sub.y, Si.sub.xH.sub.yD.sub.z (e.g., the silane) to produce a high purity silicon containing material such as electronic grade metallic silicon, photovoltaic grade metallic silicon, or both.

High-Strength, Superelastic Compounds

NASA Technical Reports Server (NTRS)

Stanford, Malcolm; Noebe, Ronald; Dellacorte, Christopher; Bigelow, Glen; Thomas, Fransua

2013-01-01

In a previous disclosure, the use of 60- NiTiNOL, an ordered intermetallic compound composed of 60 weight percent nickel and 40 weight percent titanium, was investigated as a material for advanced aerospace bearings due to its unique combination of physical properties. Lessons learned during the development of applications for this material have led to the discovery that, with the addition of a ternary element, the resulting material can be thermally processed at a lower temperature to attain the same desirable hardness level as the original material. Processing at a lower temperature is beneficial, not only because it reduces processing costs from energy consumption, but because it also significantly reduces the possibility of quench cracking and thermal distortion, which have been problematic with the original material. A family of ternary substitutions has been identified, including Hf and Zr in various atomic percentages with varying concentrations of Ni and Ti. In the present innovation, a ternary intermetallic compound consisting of 57.6 weight percent Ni, 39.2 weight percent Ti, and 3.2 weight percent Hf (54Ni-45Ti-1Hf atomic percent) was prepared by casting. In this material, Hf substitutes for some of the Ti atoms in the material. In an alternate embodiment of the innovation, Zr, which is close in chemical behavior to Hf, is used as the substitutional element. With either substitution, the solvus temperature of the material is reduced, and lower temperatures can be used to obtain the necessary hardness values. The advantages of this innovation include the ability to solution-treat the material at a lower temperature and still achieve the required hardness for bearings (at least 50 Rockwell C) and superelastic behavior with recoverable strains greater than 2%. Most structural alloys will not return to their original shape after being deformed as little as 0.2% (a tenth of that possible with superelastic materials like 60 NiTiNOL). Because lower temperatures can be used in the heat treatment process, less energy will be consumed, and there will be less dimensional distortion and quench cracking. This results in fewer scrap parts, less material waste from large amounts of material removal, and fewer machining steps to rework parts that are out of specification. This material has a combination of properties that have been previously unobtainable. The material has a Young s modulus of approximately 95 GPa (about half that of conventional steels), moderate density (10 to 15% lower than conventional steels), excellent corrosion resistance, and high hardness (58 to 62 HRC). These properties make this material uniquely suited for advanced bearings.

Atomic weights of the elements 2013 (IUPAC Technical Report)

USGS Publications Warehouse

Meija, Juris; Coplen, Tyler B.; Berglund, Michael; Brand, Willi A.; De Bièvre, Paul; Gröning, Manfred; Holden, Norman E.; Irrgeher, Johanna; Loss, Robert D.; Walczyk, Thomas; Prohaska, Thomas

2016-01-01

The biennial review of atomic-weight determinations and other cognate data has resulted in changes for the standard atomic weights of 19 elements. The standard atomic weights of four elements have been revised based on recent determinations of isotopic abundances in natural terrestrial materials:cadmium to 112.414(4) from 112.411(8),molybdenum to 95.95(1) from 95.96(2),selenium to 78.971(8) from 78.96(3), andthorium to 232.0377(4) from 232.038 06(2). The Commission on Isotopic Abundances and Atomic Weights (ciaaw.org) also revised the standard atomic weights of fifteen elements based on the 2012 Atomic Mass Evaluation:aluminium (aluminum) to 26.981 5385(7) from 26.981 5386(8),arsenic to 74.921 595(6) from 74.921 60(2),beryllium to 9.012 1831(5) from 9.012 182(3),caesium (cesium) to 132.905 451 96(6) from 132.905 4519(2),cobalt to 58.933 194(4) from 58.933 195(5),fluorine to 18.998 403 163(6) from 18.998 4032(5),gold to 196.966 569(5) from 196.966 569(4),holmium to 164.930 33(2) from 164.930 32(2),manganese to 54.938 044(3) from 54.938 045(5),niobium to 92.906 37(2) from 92.906 38(2),phosphorus to 30.973 761 998(5) from 30.973 762(2),praseodymium to 140.907 66(2) from 140.907 65(2),scandium to 44.955 908(5) from 44.955 912(6),thulium to 168.934 22(2) from 168.934 21(2), andyttrium to 88.905 84(2) from 88.905 85(2). The Commission also recommends the standard value for the natural terrestrial uranium isotope ratio, N(238U)/N(235U)=137.8(1).

RADIOACTIVE ELEMENTS IN THE STANDARD ATOMIC WEIGHTS TABLE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holden, N.E.; Holden, N.; Holden,N.E.

2011-07-27

In the 1949 Report of the Atomic Weights Commission, a series of new elements were added to the Atomic Weights Table. Since these elements had been produced in the laboratory and were not discovered in nature, the atomic weight value of these artificial products would depend upon the production method. Since atomic weight is a property of an element as it occurs in nature, it would be incorrect to assign an atomic weight value to that element. As a result of that discussion, the Commission decided to provide only the mass number of the most stable (or longest-lived) known isotopemore » as the number to be associated with these entries in the Atomic Weights Table. As a function of time, the mass number associated with various elements has changed as longer-lived isotopes of a particular element has been found in nature, or as improved half-life values of an element's isotopes might cause a shift in the longest-lived isotope from one mass to another. In the 1957 Report of the Atomic Weights Commission, it was decided to discontinue the listing of the mass number in the Atomic Weights Table on the grounds that the kind of information supplied by the mass number is inconsistent with the primary purpose of the Table, i.e., to provide accurate values of 'these constants' for use in various chemical calculations. In addition to the Table of Atomic Weights, the Commission included an auxiliary Table of Radioactive Elements for the first time, where the entry would be the isotope of that element which was the most stable, i.e., the one with the longest known half-life. In their 1973 Report, the Commission noted that the users of the main Table of Atomic Weights were dissatisfied with the omission of values for some elements in that Table and it was decided to reintroduce the mass number for the radioactive elements into the main Table. In their 1983 Report, the Commission decided that radioactive elements were considered to lack a characteristic terrestrial isotopic composition, from which an atomic weight value could be calculated to five or more figure accuracy, without prior knowledge of the sample involved. These elements were again listed in the Atomic Weights Table with no further information, i.e., with no mass number or atomic weight value. For the elements, which have no stable characteristic terrestrial isotopic composition, the data on the half-lives and the relative atomic masses for the nuclides of interest for those elements have been evaluated. The values of the half-lives with their uncertainties are listed in the table. The uncertainties are given for the last digit quoted of the half-life and are given in parentheses. A half-life entry for the Table having a value and an uncertainty of 7 {+-} 3 is listed in the half-life column as 7 (3). The criteria to include data in this Table, is to be the same as it has been for over sixty years. It is the same criteria, which are used for all data that are evaluated for inclusion in the Standard Table of Atomic Weights. If a report of data is published in a peer-reviewed journal, that data is evaluated and considered for inclusion in the appropriate table of the biennial report of the Atomic Weights Commission. As better data becomes available in the future, the information that is contained in either of the Tables of Standard Atomic Weights or in the Table of Radioactive Elements may be modified. It should be noted that the appearance of any datum in the Table of the Radioactive Elements is merely for the purposes of calculating an atomic mass value for any sample of a radioactive material, which might have a variety of isotopic compositions and it has no implication as to the priority for claiming discovery of a given element and is not intended to. The atomic mass values have been taken primarily from the 2003 Atomic Mass Table. Mass values for those radioisotopes that do not appear in the 2003 Atomic mass Table have been taken from preliminary data of the Atomic Mass Data Center. Most of the quoted half-lives.« less

The Effect of Low Earth Orbit Atomic Oxygen Exposure on Phenylphosphine Oxide-Containing Polymers

NASA Technical Reports Server (NTRS)

Connell, John W.

2000-01-01

Thin films of phenylphosphine oxide-containing polymers were exposed to low Earth orbit aboard a space shuttle flight (STS-85) as part of flight experiment designated Evaluation of Space Environment and Effects on Materials (ESEM). This flight experiment was a cooperative effort between the NASA Langley Research Center (LaRC) and the National Space Development Agency of Japan (NASDA). The thin film samples described herein were part of an atomic oxygen exposure experiment (AOE) and were exposed to primarily atomic oxygen (1 X 1019 atoms/cm2). The thin film samples consisted of three phosphine oxide containing polymers (arylene ether, benzimidazole and imide). Based on post-flight analyses using atomic force microscopy, X-ray photoelectron spectroscopy, and weight loss data, it was found that atomic oxygen exposure of these materials efficiently produces a phosphate layer at the surface of the samples. This layer provides a barrier towards further attack by AO. Consequently, these materials do not exhibit linear erosion rates which is in contrast with most organic polymers. Qualitatively, the results obtained from these analyses compare favorably with those obtained from samples exposed to atomic oxygen and or oxygen plasma in ground based exposure experiments. The results of the low Earth orbit atomic oxygen exposure on these materials will be compared with those of ground based exposure to AO.

10 CFR 71.33 - Package description.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) Classification as Type B(U), Type B(M), or fissile material packaging; (2) Gross weight; (3) Model number; (4... absorbers or moderators, and the atomic ratio of moderator to fissile constituents; (5) Maximum normal...

Clarifying Atomic Weights: A 2016 Four-Figure Table of Standard and Conventional Atomic Weights

ERIC Educational Resources Information Center

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2017-01-01

To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron,…

A Simple and Universal Gel Permeation Chromatography Technique for Precise Molecular Weight Characterization of Well-Defined Poly(ionic liquid)s

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Hongkun; Zhong, Mingjiang; Adzima, Brian

2013-03-20

Poly(ionic liquid)s (PILs) are an important class of technologically relevant materials. However, characterization of well-defined polyionic materials remains a challenge. Herein, we have developed a simple and versatile gel permeation chromatography (GPC) methodology for molecular weight (MW) characterization of PILs with a variety of anions. PILs with narrow MW distributions were synthesized via atom transfer radical polymerization, and the MWs obtained from GPC were further confirmed via nuclear magnetic resonance end group analysis.

Guidelines for the Utilization of Composite Materials in Oxygen Storage Tanks

NASA Technical Reports Server (NTRS)

Davis, Samuel E.; Herald, Stephen

2006-01-01

Space travel is inherently dangerous and, currently, quite expensive. NASA has always done everything possible to minimize the risk associated with the materials chosen for space travel applications by requiring that all materials associated with NASA programs meet the strict requirements established by NASA testing standard NASA-STD-600 1 Flammability, Odor, Offgassing, and Compatibility Requirements and Test Procedures for Materials in Environments that Support Combustion. NASA also has the need to develop lighter weight structural materials that will allow more payload weight to be carried into space. NASA is utilizing composite materials inside the orbiter to lighten the overall weight, but has not considered composite materials for oxygen tanks because of the inherent incompatibility of composite materials with atomic oxygen. This presentation will focus on how oxygen tanks can be built from composite materials. Details will be provided for the design and compatibility testing techniques that will be utilized to create a new NASA standard, NASA-HDBK-6018, which will serve as the starting point for the design of oxygen tanks made from composite materials.

STANDARD ATOMIC WEIGHTS TABLES 2007 ABRIDGED TO FOUR AND FIVE SIGNIFICANT FIGURES.

DOE Office of Scientific and Technical Information (OSTI.GOV)

HOLDEN,N.E.

2007-08-01

In response to a recommendation to the Commission on Isotopic Abundances and Atomic Weights (CIAAW) that abridged versions of the Table on Standard Atomic Weights be prepared and published, this report has been prepared. A brief history is presented of such Atomic Weight tables that have been abridged to four significant figures and to five significant figures are noted. Tables of Standard Atomic Weight values abridged to four places and five places from the official 2007 Table of Atomic Weights approved by CIAAW are included.

Solar-energy conversion and light emission in an atomic monolayer p-n diode.

PubMed

Pospischil, Andreas; Furchi, Marco M; Mueller, Thomas

2014-04-01

The limitations of the bulk semiconductors currently used in electronic devices-rigidity, heavy weight and high costs--have recently shifted the research efforts to two-dimensional atomic crystals such as graphene and atomically thin transition-metal dichalcogenides. These materials have the potential to be produced at low cost and in large areas, while maintaining high material quality. These properties, as well as their flexibility, make two-dimensional atomic crystals attractive for applications such as solar cells or display panels. The basic building blocks of optoelectronic devices are p-n junction diodes, but they have not yet been demonstrated in a two-dimensional material. Here, we report a p-n junction diode based on an electrostatically doped tungsten diselenide (WSe2) monolayer. We present applications as a photovoltaic solar cell, a photodiode and a light-emitting diode, and obtain light-power conversion and electroluminescence efficiencies of ∼ 0.5% and ∼ 0.1%, respectively. Given recent advances in the large-scale production of two-dimensional crystals, we expect them to profoundly impact future developments in solar, lighting and display technologies.

Fundamental Studies on Donor-acceptor Conjugated Polymers Containing 'Heavy' Group 14 and Group 16 Elements

NASA Astrophysics Data System (ADS)

Gibson, Gregory Laird

One advantage of conjugated polymers as organic materials is that their properties may be readily tuned through covalent modifications. This thesis presents studies on the structure-property relationships resulting from single- and double-atom substitutions on an alternating donor-acceptor conjugated polymer. Specifically, single selenium and tellurium atoms have been incorporated into the acceptor monomer in place of sulfur; silicon and germanium atoms have been substituted in place of carbon at the donor monomer bridge position. The carbon-donor/ tellurium-acceptor polymer was synthesized by a post-polymerization reaction sequence and demonstrated the utility of heavy group 16 atoms to red shift a polymer absorption spectrum. Density functional theory calculations point to a new explanation for this result invoking the lower heavy atom ionization energy and reduced aromaticity of acceptor monomers containing selenium and tellurium compared to sulfur. Absorption and emission experiments demonstrate that both silicon and germanium substitutions in the donor slightly blue shift the polymer absorption spectrum. Polymers containing sulfur in the acceptor are the strongest light absorbers of all polymers studied here. Molecular weight and phenyl end capping studies show that molecular weight appears to affect polymer absorption to the greatest degree in a medium molecular weight regime and that these effects have a significant aggregation component. Solar cell devices containing either the silicon- or germanium-donor/selenium-acceptor polymer display improved red light harvesting or hole mobility relative to their structural analogues. Overall, these results clarify the effects of single atom substitution on donor-acceptor polymers and aid in the future design of polymers containing heavy atoms.

Nanomorphology of P3HT:PCBM-based absorber layers of organic solar cells after different processing conditions analyzed by low-energy scanning transmission electron microscopy.

PubMed

Pfaff, Marina; Klein, Michael F G; Müller, Erich; Müller, Philipp; Colsmann, Alexander; Lemmer, Uli; Gerthsen, Dagmar

2012-12-01

In this study the nanomorphology of P3HT:PC61BM absorber layers of organic solar cells was studied as a function of the processing parameters and for P3HT with different molecular weight. For this purpose we apply scanning transmission electron microscopy (STEM) at low electron energies in a scanning electron microscope. This method exhibits sensitive material contrast in the high-angle annular dark-field (HAADF) mode, which is well suited to distinguish materials with similar densities and mean atomic numbers. The images taken with low-energy HAADF STEM are compared with conventional transmission electron microscopy and atomic force microscopy images to illustrate the capabilities of the different techniques. For the interpretation of the low-energy HAADF STEM images, a semiempirical equation is used to calculate the image intensities. The experiments show that the nanomorphology of the P3HT:PC61BM blends depends strongly on the molecular weight of the P3HT. Low-molecular-weight P3HT forms rod-like domains during annealing. In contrast, only small globular features are visible in samples containing high-molecular-weight P3HT, which do not change significantly after annealing at 150°C up to 30 min.

Application of Computer Simulation to Identify Erosion Resistance of Materials of Wet-steam Turbine Blades

NASA Astrophysics Data System (ADS)

Korostelyov, D. A.; Dergachyov, K. V.

2017-10-01

A problem of identifying the efficiency of using materials, coatings, linings and solderings of wet-steam turbine rotor blades by means of computer simulation is considered. Numerical experiments to define erosion resistance of materials of wet-steam turbine blades are described. Kinetic curves for erosion area and weight of the worn rotor blade material of turbines K-300-240 LMP and atomic icebreaker “Lenin” have been defined. The conclusion about the effectiveness of using different erosion-resistant materials and protection configuration of rotor blades is also made.

Ground radiation tests and flight atomic oxygen tests of ITO protective coatings for Galileo Spacecraft

NASA Technical Reports Server (NTRS)

Bouquet, Frank L.; Maag, Carl R.

1986-01-01

Radiation simulation tests (protons and electrons) were performed along with atomic oxygen flight tests aboard the Shuttle to space qualify the surface protective coatings. The results, which contributed to the selection of indium-tin-oxide (ITO) coated polyester as the material for the thermal blankets of the Galileo Spacecraft, are given here. Two candidate materials, polyester and Fluorglas, were radiation-tested to determine changes at simulated Jovian radiation levels. The polyester exhibited a smaller weight loss (2.8) than the Fluorglas (8.8 percent). Other changes of polyester are given. During low-earth orbit, prior to transit to Jupiter, the thermal blankets would be exposed to atomic oxygen. Samples of uncoated and ITO-coated polyesters were flown on the Shuttle. Qualitative results are given which indicated that the ITO coating protected the underlying polyester.

How Good Are the Standard Atomic Weights?

ERIC Educational Resources Information Center

Peiser, H. Steffen

1985-01-01

This review of standard atomic weights is written chiefly for chemical analysts who may place too much confidence in the accuracy of these values. Topics considered include Frank Clarke's atomic weights, effects of radioactivity and other anomalies in isotopic abundance, atomic weight limitations from experimental uncertainties, and others. (JN)

Material discrimination using scattering and stopping of cosmic ray muons and electrons: Differentiating heavier from lighter metals as well as low-atomic weight materials

NASA Astrophysics Data System (ADS)

Blanpied, Gary; Kumar, Sankaran; Dorroh, Dustin; Morgan, Craig; Blanpied, Isabelle; Sossong, Michael; McKenney, Shawn; Nelson, Beth

2015-06-01

Reported is a new method to apply cosmic-ray tomography in a manner that can detect and characterize not only dense assemblages of heavy nuclei (like Special Nuclear Materials, SNM) but also assemblages of medium- and light-atomic-mass materials (such as metal parts, conventional explosives, and organic materials). Characterization may enable discrimination between permitted contents in commerce and contraband (explosives, illegal drugs, and the like). Our Multi-Mode Passive Detection System (MMPDS) relies primarily on the muon component of cosmic rays to interrogate Volumes of Interest (VOI). Muons, highly energetic and massive, pass essentially un-scattered through materials of light atomic mass and are only weakly scattered by conventional metals used in industry. Substantial scattering and absorption only occur when muons encounter sufficient thicknesses of heavy elements characteristic of lead and SNM. Electrons are appreciably scattered by light elements and stopped by sufficient thicknesses of materials containing medium-atomic-mass elements (mostly metals). Data include simulations based upon GEANT and measurements in the HMT (Half Muon Tracker) detector in Poway, CA and a package scanner in both Poway and Socorro NM. A key aspect of the present work is development of a useful parameter, designated the "stopping power" of a sample. The low-density regime, comprising organic materials up to aluminum, is characterized using very little scattering but a strong variation in stopping power. The medium-to-high density regime shows a larger variation in scattering than in stopping power. The detection of emitted gamma rays is another useful signature of some materials.

Search for novel contrast materials in dual-energy x-ray breast imaging using theoretical modeling of contrast-to-noise ratio

NASA Astrophysics Data System (ADS)

Karunamuni, R.; Maidment, A. D. A.

2014-08-01

Contrast-enhanced (CE) dual-energy (DE) x-ray breast imaging uses a low- and high-energy x-ray spectral pair to eliminate soft-tissue signal variation and thereby increase the detectability of exogenous imaging agents. Currently, CEDE breast imaging is performed with iodinated contrast agents. These compounds are limited by several deficiencies, including rapid clearance and poor tumor targeting ability. The purpose of this work is to identify novel contrast materials whose contrast-to-noise ratio (CNR) is comparable or superior to that of iodine in the mammographic energy range. A monoenergetic DE subtraction framework was developed to calculate the DE signal intensity resulting from the logarithmic subtraction of the low- and high-energy signal intensities. A weighting factor is calculated to remove the dependence of the DE signal on the glandularity of the breast tissue. Using the DE signal intensity and weighting factor, the CNR for materials with atomic numbers (Z) ranging from 1 to 79 are computed for energy pairs between 10 and 50 keV. A group of materials with atomic numbers ranging from 42 to 63 were identified to exhibit the highest levels of CNR in the mammographic energy range. Several of these materials have been formulated as nanoparticles for various applications but none, apart from iodine, have been investigated as CEDE breast imaging agents. Within this group of materials, the necessary dose fraction to the LE image decreases as the atomic number increases. By reducing the dose to the LE image, the DE subtraction technique will not provide an anatomical image of sufficient quality to accompany the contrast information. Therefore, materials with Z from 42 to 52 provide nearly optimal values of CNR with energy pairs and dose fractions that provide good anatomical images. This work is intended to inspire further research into new materials for optimized CEDE breast functional imaging.

Search for novel contrast materials in dual-energy x-ray breast imaging using theoretical modeling of contrast-to-noise ratio.

PubMed

Karunamuni, R; Maidment, A D A

2014-08-07

Contrast-enhanced (CE) dual-energy (DE) x-ray breast imaging uses a low- and high-energy x-ray spectral pair to eliminate soft-tissue signal variation and thereby increase the detectability of exogenous imaging agents. Currently, CEDE breast imaging is performed with iodinated contrast agents. These compounds are limited by several deficiencies, including rapid clearance and poor tumor targeting ability. The purpose of this work is to identify novel contrast materials whose contrast-to-noise ratio (CNR) is comparable or superior to that of iodine in the mammographic energy range. A monoenergetic DE subtraction framework was developed to calculate the DE signal intensity resulting from the logarithmic subtraction of the low- and high-energy signal intensities. A weighting factor is calculated to remove the dependence of the DE signal on the glandularity of the breast tissue. Using the DE signal intensity and weighting factor, the CNR for materials with atomic numbers (Z) ranging from 1 to 79 are computed for energy pairs between 10 and 50 keV. A group of materials with atomic numbers ranging from 42 to 63 were identified to exhibit the highest levels of CNR in the mammographic energy range. Several of these materials have been formulated as nanoparticles for various applications but none, apart from iodine, have been investigated as CEDE breast imaging agents. Within this group of materials, the necessary dose fraction to the LE image decreases as the atomic number increases. By reducing the dose to the LE image, the DE subtraction technique will not provide an anatomical image of sufficient quality to accompany the contrast information. Therefore, materials with Z from 42 to 52 provide nearly optimal values of CNR with energy pairs and dose fractions that provide good anatomical images. This work is intended to inspire further research into new materials for optimized CEDE breast functional imaging.

Uranium and organic matters: use of pyrolysis-gas chromatography, carbon, hydrogen, and uranium contents to characterize the organic matter from sandstone-type deposits

USGS Publications Warehouse

Leventhal, Joel S.

1979-01-01

Organic matter seems to play an important role in the genesis of uranium deposits in sandstones in the western United States. Organic materials associated with ore from the Texas coastal plain, Tertiary basins of Wyoming, Grants mineral belt of New Mexico, and the Uravan mineral belt of Utah and Colorado vary widely in physical appearance and chemical composition. Partial characterization of organic materials is achieved by chemical analyses to determine atomic hydrogen-to-carbon (H/C) ratios and by gas chromatographic analyses to determine the molecular fragments evolved during stepwise pyrolysis. From the pyrolysis experiments the organic materials can be classified and grouped: (a) lignites from Texas and Wyoming and (b) hydrogen poor materials, from Grants and Uravan mineral belts and Wyoming; (c) naphthalene-containing materials from Grants mineral belt and Wyoming; and (d) complex and aromatic materials from Uravan, Grants and Wyoming. The organic materials analyzed have atomic H/C ratios that range from approximately 0.3 to at least 1.5. The samples with higher H/C ratios yield pyrolysis products that contain as many as 30 carbon atoms per molecule. Samples with low H/C ratios are commonly more uraniferous and yield mostly methane and low-molecular-weight gases during pyrolysis.

Effective atomic numbers in some food materials and medicines for γ -ray attenuation using ^{137}Cs γ -ray

NASA Astrophysics Data System (ADS)

Revathy, J. S.; Anooja, J.; Krishnaveni, R. B.; Gangadathan, M. P.; Varier, K. M.

2018-06-01

A light-weight multichannel analyser (MCA)-based γ -ray spectrometer, developed earlier at the Inter University Accelerator Centre, New Delhi, has been used as part of the PG curriculum, to determine the effective atomic numbers for γ attenuation of ^{137}Cs γ -ray in different types of samples. The samples used are mixtures of graphite, aluminum and selenium powders in different proportions, commercial and home-made edible powders, fruit and vegetable juices as well as certain allopathic and ayurvedic medications. A narrow beam good geometry set-up has been used in the experiments. The measured attenuation coefficients have been used to extract effective atomic numbers in the samples. The results are consistent with XCOM values wherever available. The present results suggest that the γ attenuation technique can be used as an effective non-destructive method for finding adulteration of food materials.

Fabrication of Lightweight Radiation Shielding Composite Materials by Field Assisted Sintering Technique (FAST)

NASA Technical Reports Server (NTRS)

Prasad, Narasimha; Trivedi, Sudhir; Chen, Henry; Kutcher, Susan; Zhang, Dajie; Singh, Jogender

2017-01-01

Advances in radiation shielding technologies are needed to protect humans and electronic components from all threats of space radiation over long durations. In this paper, we report on the use of the innovative and novel fabrication technology known as Field Assisted Sintering Technology (FAST) to fabricate lightweight material with enhanced radiation shielding strength to safeguard humans and electronics suitable for next generation space exploration missions. The base materials we investigated were aluminum (Al), the current standard material for space hardware, and Ultra-High Molecular Weight Polyethylene (UHMWPE), which has high hydrogen content and resistance to nuclear reaction from neutrons, making it a good shielding material for both gamma radiation and particles. UHMWPE also has high resistance to corrosive chemicals, extremely low moisture sensitivity, very low coefficient of friction, and high resistance to abrasion. We reinforced the base materials by adding high density (ie, high atomic weight) metallic material into the composite. These filler materials included: boron carbide (B4C), tungsten (W), tungsten carbide (WC) and gadolinium (Gd).

Atomic Weights and Isotopic Compositions

National Institute of Standards and Technology Data Gateway

SRD 144 Atomic Weights and Isotopic Compositions (Web, free access)   The atomic weights are available for elements 1 through 111, and isotopic compositions or abundances are given when appropriate.

Isotopic Compositions of the Elements, 2001

NASA Astrophysics Data System (ADS)

Böhlke, J. K.; de Laeter, J. R.; De Bièvre, P.; Hidaka, H.; Peiser, H. S.; Rosman, K. J. R.; Taylor, P. D. P.

2005-03-01

The Commission on Atomic Weights and Isotopic Abundances of the International Union of Pure and Applied Chemistry completed its last review of the isotopic compositions of the elements as determined by isotope-ratio mass spectrometry in 2001. That review involved a critical evaluation of the published literature, element by element, and forms the basis of the table of the isotopic compositions of the elements (TICE) presented here. For each element, TICE includes evaluated data from the "best measurement" of the isotope abundances in a single sample, along with a set of representative isotope abundances and uncertainties that accommodate known variations in normal terrestrial materials. The representative isotope abundances and uncertainties generally are consistent with the standard atomic weight of the element Ar(E) and its uncertainty U[Ar(E)] recommended by CAWIA in 2001.

THERMAL NEUTRONIC REACTOR

DOEpatents

Spinrad, B.I.

1960-01-12

A novel thermal reactor was designed in which a first reflector formed from a high atomic weight, nonmoderating material is disposed immediately adjacent to the reactor core. A second reflector composed of a moderating material is disposed outwardly of the first reflector. The advantage of this novel reflector arrangement is that the first reflector provides a high slow neutron flux in the second reflector, where irradiation experiments may be conducted with a small effect on reactor reactivity.

Shielding of longitudinal magnetic fields with thin, closely, spaced concentric cylindrical shells with applications to atomic clocks

NASA Technical Reports Server (NTRS)

Wolf, S. A.; Gubser, D. U.; Cox, J. E.

1978-01-01

A general formula is given for the longitudinal shielding effectiveness of N closed concentric cylinders. The use of these equations is demonstrated by application to the design of magnetic shields for hydrogen maser atomic clocks. Examples of design tradeoffs such as size, weight, and material thickness are discussed. Experimental results on three sets of shields fabricated by three manufacturers are presented. Two of the sets were designed employing the techniques described. Agreement between the experimental results and the design calculations is then demonstrated.

Atomic weights of the elements--Review 2000 (IUPAC Technical Report)

USGS Publications Warehouse

de Laeter, John R.; Böhlke, John Karl; De Bièvre, P.; Hidaka, H.; Peiser, H.S.; Rosman, K.J.R.; Taylor, P.D.P.

2003-01-01

A consistent set of internationally accepted atomic weights has long been an essential aim of the scientific community because of the relevance of these values to science and technology, as well as to trade and commerce subject to ethical, legal, and international standards. The standard atomic weights of the elements are regularly evaluated, recommended, and published in updated tables by the Commission on Atomic Weights and Isotopic Abundances (CAWIA) of the International Union of Pure and Applied Chemistry (IUPAC). These values are invariably associated with carefully evaluated uncertainties. Atomic weights were originally determined by mass ratio measurements coupled with an understanding of chemical stoichiometry, but are now based almost exclusively on knowledge of the isotopic composition (derived from isotope-abundance ratio measurements) and the atomic masses of the isotopes of the elements. Atomic weights and atomic masses are now scaled to a numerical value of exactly 12 for the mass of the carbon isotope of mass number 12. Technological advances in mass spectrometry and nuclear-reaction energies have enabled atomic masses to be determined with a relative uncertainty of better than 1 ×10−7 . Isotope abundances for an increasing number of elements can be measured to better than 1 ×10−3 . The excellent precision of such measurements led to the discovery that many elements, in different specimens, display significant variations in their isotope-abundance ratios, caused by a variety of natural and industrial physicochemical processes. While such variations increasingly place a constraint on the uncertainties with which some standard atomic weights can be stated, they provide numerous opportunities for investigating a range of important phenomena in physical, chemical, cosmological, biological, and industrial processes. This review reflects the current and increasing interest of science in the measured differences between source-specific and even sample-specific atomic weights. These relative comparisons can often be made with a smaller uncertainty than is achieved in the best calibrated “absolute ” (=SI-traceable) atomic-weight determinations. Accurate determinations of the atomic weights of certain elements also influence the values of fundamental constants such as the Avogadro, Faraday, and universal gas constants. This review is in two parts: the first summarizes the development of the science of atomic-weight determinations during the 20th century; the second summarizes the changes and variations that have been recognized in the values and uncertainties of atomic weights, on an element-by-element basis, in the latter part of the 20th century.

METALLURGICAL PROGRAMS: CALCULATION OF MASS FROM VOLUME, DENSITY OF MIXTURES, AND CONVERSION OF ATOMIC TO WEIGHT PERCENT

NASA Technical Reports Server (NTRS)

Degroh, H.

1994-01-01

The Metallurgical Programs include three simple programs which calculate solutions to problems common to metallurgical engineers and persons making metal castings. The first program calculates the mass of a binary ideal (alloy) given the weight fractions and densities of the pure components and the total volume. The second program calculates the densities of a binary ideal mixture. The third program converts the atomic percentages of a binary mixture to weight percentages. The programs use simple equations to assist the materials staff with routine calculations. The Metallurgical Programs are written in Microsoft QuickBASIC for interactive execution and have been implemented on an IBM PC-XT/AT operating MS-DOS 2.1 or higher with 256K bytes of memory. All instructions needed by the user appear as prompts as the software is used. Data is input using the keyboard only and output is via the monitor. The Metallurgical programs were written in 1987.

Updated atomic weights: Time to review our table

USGS Publications Warehouse

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2016-01-01

Despite common belief, atomic weights are not necessarily constants of nature. Scientists’ ability to measure these values is regularly improving, so one would expect that the accuracy of these values should be improving with time. It is the task of the IUPAC (International Union of Pure and Applied Chemistry) Commission on Isotopic Abundances and Atomic Weights (CIAAW) to regularly review atomic-weight determinations and release updated values.According to an evaluation published in Pure and Applied Chemistry [1], even the most simplified table abridged to four significant digits needs to be updated for the elements selenium and molybdenum. According to the most recent 2015 release of "Atomic Weights of the Elements" [2], another update is needed for ytterbium.

Isotopic compositions of the elements, 2001

USGS Publications Warehouse

Böhlke, J.K.; De Laeter, J. R.; De Bievre, P.; Hidaka, H.; Peiser, H.S.; Rosman, K.J.R.; Taylor, P.D.P.

2005-01-01

The Commission on Atomic Weights and Isotopic Abundances of the International Union of Pure and Applied Chemistry completed its last review of the isotopic compositions of the elements as determined by isotope-ratio mass spectrometry in 2001. That review involved a critical evaluation of the published literature, element by element, and forms the basis of the table of the isotopic compositions of the elements (TICE) presented here. For each element, TICE includes evaluated data from the “best measurement” of the isotope abundances in a single sample, along with a set of representative isotope abundances and uncertainties that accommodate known variations in normal terrestrial materials. The representative isotope abundances and uncertainties generally are consistent with the standard atomic weight of the element Ar(E)">Ar(E)Ar(E) and its uncertainty U[Ar(E)]">U[Ar(E)]U[Ar(E)] recommended by CAWIA in 2001.

Effective atomic numbers and electron densities of bioactive glasses for photon interaction

NASA Astrophysics Data System (ADS)

Shantappa, Anil; Hanagodimath, S. M.

2015-08-01

This work was carried out to study the nature of mass attenuation coefficient of bioactive glasses for gamma rays. Bioactive glasses are a group of synthetic silica-based bioactive materials with unique bone bonding properties. In the present study, we have calculated the effective atomic number, electron density for photon interaction of some selected bioactive glasses viz., SiO2-Na2O, SiO2-Na2O-CaO and SiO2-Na2O-P2O5 in the energy range 1 keV to 100 MeV. We have also computed the single valued effective atomic number by using XMuDat program. It is observed that variation in effective atomic number (ZPI, eff) depends also upon the weight fractions of selected bioactive glasses and range of atomic numbers of the elements. The results shown here on effective atomic number, electron density will be more useful in the medical dosimetry for the calculation of absorbed dose and dose rate.

Nanotechnology Concepts at MSFC: Engineering Directorate

NASA Technical Reports Server (NTRS)

Bhat, Biliyar; Kaul, Raj; Shah, Sandeep; Smithers, Gweneth; Watson, Michael D.

2000-01-01

Nanotechnology is the art and science of building materials and devices at the ultimate level of finesse: atom by atom. Our nation's space program has needs for miniaturization of components, minimization of weight and maximization of performance, and nanotechnology will help us get there. MSFC - Engineering Directorate (ED) is committed to developing nanotechnology that will enable MSFC missions in space transportation, space science and space optics manufacturing. MSFC-ED has a dedicated group of technologists who are currently developing high pay-off nanotechnology concepts. This poster presentation will outline some of the concepts being developed at this time including, nanophase structural materials, carbon nanotube reinforced metal and polymer matrix composites, nanotube temperature sensors and aerogels. The poster will outline these concepts and discuss associated technical challenges in turning these concepts into real components and systems.

Nanotechnology Concepts at Marshall Space Flight Center: Engineering Directorate

NASA Technical Reports Server (NTRS)

Bhat, B.; Kaul, R.; Shah, S.; Smithers, G.; Watson, M. D.

2001-01-01

Nanotechnology is the art and science of building materials and devices at the ultimate level of finesse: atom by atom. Our nation's space program has need for miniaturization of components, minimization of weight, and maximization of performance, and nanotechnology will help us get there. Marshall Space Flight Center's (MSFC's) Engineering Directorate is committed to developing nanotechnology that will enable MSFC missions in space transportation, space science, and space optics manufacturing. MSFC has a dedicated group of technologists who are currently developing high-payoff nanotechnology concepts. This poster presentation will outline some of the concepts being developed including, nanophase structural materials, carbon nanotube reinforced metal and polymer matrix composites, nanotube temperature sensors, and aerogels. The poster will outline these concepts and discuss associated technical challenges in turning these concepts into real components and systems.

Few-layer graphene growth from polystyrene as solid carbon source utilizing simple APCVD method

NASA Astrophysics Data System (ADS)

Ahmadi, Shahrokh; Afzalzadeh, Reza

2016-07-01

This research article presents development of an economical, simple, immune and environment friendly process to grow few-layer graphene by controlling evaporation rate of polystyrene on copper foil as catalyst and substrate utilizing atmospheric pressure chemical vapor deposition (APCVD) method. Evaporation rate of polystyrene depends on molecular structure, amount of used material and temperature. We have found controlling rate of evaporation of polystyrene by controlling the source temperature is easier than controlling the material weight. Atomic force microscopy (AFM) as well as Raman Spectroscopy has been used for characterization of the layers. The frequency of G‧ to G band ratio intensity in some samples varied between 0.8 and 1.6 corresponding to few-layer graphene. Topography characterization by atomic force microscopy confirmed Raman results.

Unusual chemical compositions of noctilucent-cloud particle nuclei

NASA Technical Reports Server (NTRS)

Hemenway, C. L.

1973-01-01

Two sounding rocket payloads were launched from the ESRO range in Sweden during a noctilucent cloud display. Large numbers of submicron particles were collected, most of which appear to be made up of a high density material coated with a low density material. Typical electron micrographs are shown. Particle chemical compositions have been measured by use of dispersive X-ray analysis equipment attached to an electron microscope and have revealed that most of the high density particle nuclei have atomic weights greater than iron.

Enhanced adhesion for LIGA microfabrication by using a buffer layer

DOEpatents

Bajikar, Sateesh S.; De Carlo, Francesco; Song, Joshua J.

2004-01-27

The present invention is an improvement on the LIGA microfabrication process wherein a buffer layer is applied to the upper or working surface of a substrate prior to the placement of a resist onto the surface of the substrate. The buffer layer is made from an inert low-Z material (low atomic weight), a material that absorbs secondary X-rays emissions from the substrate that are generated from the substrate upon exposure to a primary X-rays source. Suitable materials for the buffer layer include polyamides and polyimide. The preferred polyimide is synthesized form pyromellitic anhydride and oxydianiline (PMDA-ODA).

Enhanced adhesion for LIGA microfabrication by using a buffer layer

DOEpatents

Bajikar, Sateesh S.; De Carlo, Francesco; Song, Joshua J.

2001-01-01

The present invention is an improvement on the LIGA microfabrication process wherein a buffer layer is applied to the upper or working surface of a substrate prior to the placement of a resist onto the surface of the substrate. The buffer layer is made from an inert low-Z material (low atomic weight), a material that absorbs secondary X-rays emissions from the substrate that are generated from the substrate upon exposure to a primary X-rays source. Suitable materials for the buffer layer include polyamides and polyimide. The preferred polyimide is synthesized form pyromellitic anhydride and oxydianiline (PMDA-ODA).

On the Failure of Correlating Partitioned Electrostatic Surface Potentials Using Bader’s Atoms-in-Molecules Theory to Impact Sensitivities

DTIC Science & Technology

2013-04-01

atoms labeled. ......................................................................................25 Figure A-15. Picric acid with atoms labeled...217 Table A-47. DATB atom specific Politzer parameters using PBE/6-31G**..............................218 Table A-48. Picric acid atom specific...weighted atom specific Politzer parameters using PBE/6-31G**. .....272 Table A-96. Picric acid area weighted atom specific Politzer parameters using PBE

History of the recommended atomic-weight values from 1882 to 1997: A comparision of differences from current values to the estimated uncertainties of earlier values.

USGS Publications Warehouse

Coplen, T.B.; Peiser, H.S.

1998-01-01

International commissions and national committees for atomic weights (mean relative atomic masses) have recommended regularly updated, best values for these atomic weights as applicable to terrestrial sources of the chemical elements. Presented here is a historically complete listing starting with the values in F. W. Clarke's 1882 recalculation, followed by the recommended values in the annual reports of the American Chemical Society's Atomic Weights Commission. From 1903, an International Commission published such reports and its values (scaled to an atomic weight of 16 for oxygen) are here used in preference to those of national committees of Britain, Germany, Spain, Switzerland, and the U.S.A. We have, however, made scaling adjustments from Ar(16O) to Ar(12C) where not negligible. From 1920, this International Commission constituted itself under the International Union of Pure and Applied Chemistry (IUPAC). Since then, IUPAC has published reports (mostly biennially) listing the recommended atomic weights, which are reproduced here. Since 1979, these values have been called the "standard atomic weights" and, since 1969, all values have been published, with their estimated uncertainties. Few of the earlier values were published with uncertainties. Nevertheless, we assessed such uncertainties on the basis of our understanding of the likely contemporary judgement of the values' reliability. While neglecting remaining uncertainties of 1997 values, we derive "differences" and a retrospective index of reliability of atomic-weight values in relation to assessments of uncertainties at the time of their publication. A striking improvement in reliability appears to have been achieved since the commissions have imposed upon themselves the rule of recording estimated uncertainties from all recognized sources of error.

New method for shielding electron beams used for head and neck cancer treatment.

PubMed

Farahani, M; Eichmiller, F C; McLaughlin, W L

1993-01-01

Shields and stents of metals with high atomic number, which are custom cast in molds from the melt, are the materials most widely used to protect surrounding tissues during treatment of skin or oral lesions with therapeutic electron beams. An improved fabrication method is to mix a polysiloxane-metal composite, which is readily cast at room temperature by combining a metal-powder/polysiloxane resin mixture with a hardening catalyst. The purpose of the present study is to compare the shielding effectiveness of two different metal-polysiloxane composites with that of conventional cast Lipowitz metal (50.1% Bi, 26.6% Pb, 13.3% Sn, 10% Cd). Also, a 2(3) factorial experiment was run to investigate the effects and interactions of metal particle size (20-microns vs 100-microns diameter), the atomic weight of the metal (304 stainless steel vs 70% Ag, 30% Cu alloy), and the presence or absence of a layer of unfilled polymer added to the forward-scatter side of the shield. The composites of different thicknesses were made by blending 90% (w/w) metal powder separately with 10% polysiloxane base and catalyst. A thin GafChromic dosimeter film was placed between the shielding material and a polystyrene base to measure the radiation shielding effect of composite disc samples irradiated with a 6-MeV electron beam normal to the flat surface of the disc. The results show that composite shields with the metal of higher atomic weight and density (Ag-Cu) combined with an additional unfilled layer are more effective than the stainless-steel composite with a similar additional unfilled layer, in terms of diminishing the dose at the surface of the polystyrene backing material.(ABSTRACT TRUNCATED AT 250 WORDS)

Physical particularities of nuclear reactors using heavy moderators of neutrons

NASA Astrophysics Data System (ADS)

Kulikov, G. G.; Shmelev, A. N.

2016-12-01

In nuclear reactors, thermal neutron spectra are formed using moderators with small atomic weights. For fast reactors, inserting such moderators in the core may create problems since they efficiently decelerate the neutrons. In order to form an intermediate neutron spectrum, it is preferable to employ neutron moderators with sufficiently large atomic weights, using 233U as a fissile nuclide and 232Th and 231Pa as fertile ones. The aim of the work is to investigate the properties of heavy neutron moderators and to assess their advantages. The analysis employs the JENDL-4.0 nuclear data library and the SCALE program package for simulating the variation of fuel composition caused by irradiation in the reactor. The following main results are obtained. By using heavy moderators with small neutron moderation steps, one is able to (1) increase the rate of resonance capture, so that the amount of fertile material in the fuel may be reduced while maintaining the breeding factor of the core; (2) use the vacant space for improving the fuel-element properties by adding inert, strong, and thermally conductive materials and by implementing dispersive fuel elements in which the fissile material is self-replenished and neutron multiplication remains stable during the process of fuel burnup; and (3) employ mixtures of different fertile materials with resonance capture cross sections in order to increase the resonance-lattice density and the probability of resonance neutron capture leading to formation of fissile material. The general conclusion is that, by forming an intermediate neutron spectrum with heavy neutron moderators, one can use the fuel more efficiently and improve nuclear safety.

Additives to reduce susceptibility of thermosets and thermoplastics to erosion from atomic oxygen

NASA Technical Reports Server (NTRS)

Orwoll, Robert A.

1990-01-01

Polymeric materials have many attractive features such as light weight, high strength, and broad applicability in the form of films, fibers, and molded objects. In low earth orbit (LEO), these materials, when exposed on the exterior of the spacecraft, have the serious disadvantage of being susceptible to erosion by atomic oxygen (AO). AO is the most common chemical species at LEO altitudes. AO can be an extremely efficient oxidizing agent as was apparent from the extensive erosion of organic films exposed in STS missions. The mechanism for erosion involves the reaction of oxygen atoms at the surface of the substrate to form small molecular species. The susceptibility of polymeric materials varies with their chemical composition. Films with silicon atoms incorporated in the molecular structures have large coefficients of thermal expansion. This limits their utility. In an alternative approach additives were sought that mix physically and form a protective oxide layer when the film is exposed to AO. A large number of organic compounds containing silicon, germanium, or tin atoms were screened. Most were found to have very limited solubility in the polyetherimide (Ultem) films that were being protected from AO. However, one, bis(triphenyl tin) oxide, (BTO), is miscible in Ultem up to about 25 percent. Films of Ultem polyimide containing up to 25 wt percent BTO were prepared by evaporation of solvent from a solution of Ultem and BTO. The effects of AO on these films were simulated in the oxygen atmosphere of a radio frequency glow-discharge chamber. In the second part of this study, atoms were incorporated in epoxy resins. Experiments are in progress to measure the resistance of films of the cured epoxy to AO in the discharge chamber.

IUPAC Periodic Table of Isotopes for the Educational Community

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holden N. E.; Holden,N.E.; Coplen,T.B.

2012-07-15

John Dalton first proposed the concept of atomic weights of the elements in the first decade of the nineteenth century. These atomic weights of the chemical elements were thought of as constants of nature, similar to the speed of light. Dmitri Mendeleev arranged the atomic weights of the elements in ascending order of value and used the systematic variation of their chemical properties to produce his Periodic Table of the Elements in 1869. Measurement of atomic weight values became an important chemical activity for a century and a half. Theodore Richards received a Noble Prize for his work in thismore » area. In 1913, Fredrick Soddy found a species of radium, which had an atomic weight value of 228, compared to the familiar radium gas value of 226. Soddy coined the term 'isotope' (Greek for 'in the same place') to account for this second atomic weight value in the radium position of the Periodic Table. Both of these isotopes of radium are radioactive. Radioactive isotopes are energetically unstable and will decay (disintegrate) over time. The time it takes for one half of a sample of a given radioactive isotope to decay is the half-life of that isotope. In addition to having different atomic weight values, radium-226 and radium-228 also have different half-life values. Around the same time as Soddy's work, J.J. Thomson (discoverer of the electron) identified two stable (non-radioactive) isotopes of the same element, neon. Over the next 40 years, the majority of the known chemical elements were found to have two or more stable (or long-lived radioactive isotopes that contribute significantly to the determination of the atomic weights of the elements).« less

Effective atomic numbers and electron densities of bioactive glasses for photon interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shantappa, Anil, E-mail: anilmalipatil@yahoo.co.in; Hanagodimath, S. M., E-mail: smhmath@rediffmail.com

2015-08-28

This work was carried out to study the nature of mass attenuation coefficient of bioactive glasses for gamma rays. Bioactive glasses are a group of synthetic silica-based bioactive materials with unique bone bonding properties. In the present study, we have calculated the effective atomic number, electron density for photon interaction of some selected bioactive glasses viz., SiO{sub 2}-Na{sub 2}O, SiO{sub 2}-Na{sub 2}O-CaO and SiO{sub 2}-Na{sub 2}O-P{sub 2}O{sub 5} in the energy range 1 keV to 100 MeV. We have also computed the single valued effective atomic number by using XMuDat program. It is observed that variation in effective atomic number (Z{submore » PI,} {sub eff}) depends also upon the weight fractions of selected bioactive glasses and range of atomic numbers of the elements. The results shown here on effective atomic number, electron density will be more useful in the medical dosimetry for the calculation of absorbed dose and dose rate.« less

Structural materials for space applications

NASA Technical Reports Server (NTRS)

Tenney, Darrel R.

1989-01-01

The long-term performance of structural materials in the space environment is a key research activity within NASA. The primary concerns for materials in low Earth orbit (LEO) are atomic oxygen erosion and space debris impact. Atomic oxygen studies have included both laboratory exposures in atomic oxygen facilities and flight exposures using the Shuttle. Characterization of atomic oxygen interaction with materials has included surface recession rates, residual mechanical properties, optical property measurements, and surface analyses to establish chemical changes. The Long Duration Exposure Facility (LDEF) is scheduled to be retrieved in 1989 and is expected to provide a wealth of data on atomic oxygen erosion in space. Hypervelocity impact studies have been conducted to establish damage mechanisms and changes in mechanical properties. Samples from LDEF will be analyzed to determine the severity of space debris impact on coatings, films, and composites. Spacecraft placed in geosynchronous Earth orbit (GEO) will be subjected to high doses of ionizing radiation which for long term exposures will exceed the damage threshold of many polymeric materials. Radiation interaction with polymers can result in chain scission and/or cross-linking. The formation of low molecular weight products in the epoxy plasticize the matrix at elevated temperatures and embrittle the matrix at low temperatures. This affects both the matrix-dominated mechanical properties and the dimensional stability of the composite. Embrittlement of the matrix at low temperatures results in enhanced matrix microcracking during thermal cycling. Matrix microcracking changes the coefficient of thermal expansion (CTE) of composite laminates and produces permanent length changes. Residual stress calculations were performed to estimate the conditions necessary for microcrack development in unirradiated and irradiated composites. The effects of UV and electron exposure on the optical properties of transparent polymer films were also examined to establish the optimum chemical structure for good radiation resistance. Thoughts on approaches to establishing accelerated testing procedures are discussed.

Computational Materials Research

NASA Technical Reports Server (NTRS)

Hinkley, Jeffrey A. (Editor); Gates, Thomas S. (Editor)

1996-01-01

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.

Space Station Freedom solar array design development

NASA Technical Reports Server (NTRS)

Winslow, Cindy; Bilger, Kevin; Baraona, Cosmo

1989-01-01

The Space Station Freedom solar array program is required to provide a 75-kW power module that uses eight solar array (SA) wings over a four-year period in low earth orbit (LEO). Each wing will be capable of providing 23.4 kW at the 4-yr design point. The design of flexible-substrate SAs that must survive exposure to the space environment, including atomic oxygen, for an operating life of fifteen years is discussed. The tradeoff study and development areas being investigated include solar cell module size, solar cell weld pads, panel stiffener frames, materials inherently resistant to atomic oxygen, and weight reduction design alternatives.

Updated Atomic Weights: Time to Review Our Table

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tyler B. Coplen; Holden, Norman E.; Meyers, Fabienne

Many readers might wonder what can be new about atomic weights and why such a subject deserves even a short paper in Chemistry Views magazine. However, despite common belief, atomic weights are not constants of nature. Scientists' ability to measure these values is regularly improving, so one would expect that the accuracy of these values should be improving with time.

Updated Atomic Weights: Time to Review Our Table

DOE PAGES

Tyler B. Coplen; Holden, Norman E.; Meyers, Fabienne

2016-04-05

Many readers might wonder what can be new about atomic weights and why such a subject deserves even a short paper in Chemistry Views magazine. However, despite common belief, atomic weights are not constants of nature. Scientists' ability to measure these values is regularly improving, so one would expect that the accuracy of these values should be improving with time.

Investigating the structure and biocompatibility of niobium and titanium oxides as coatings for orthopedic metallic implants.

PubMed

Pradhan, D; Wren, A W; Misture, S T; Mellott, N P

2016-01-01

Applying sol gel based coatings to orthopedic metallic implant materials can significantly improve their properties and lifespan in vivo. For this work, niobium (Nb2O5) and titanium (TiO2) oxides were prepared via solution processing in order to determine the effect of atomic arrangement (amorphous/crystalline) on bioactivity. Thermal evaluation on the synthesized materials identified an endotherm for Nb2O5 at 75 °C with 40% weight loss below 400 °C, and minimal weight loss between 400 and 850 °C. Regarding TiO2 an endotherm was present at 92 °C with 25% weight loss below 400 °C, and 4% between 400 and 850 °C. Phase evolution was determined using High Temperature X-ray Diffraction (HT-XRD) where amorphous-Nb2O5 (450 °C), hexagonal-Nb2O5 (525 °C), orthorhombic-Nb2O5 (650 °C), amorphous-TiO2 (275 °C) and tetragonal TiO2 (500 °C) structures were produced. Simulated body fluid (SBF) testing was conducted over 1, 7 and 30 days and resulted in positive chemical and morphological changes for crystalline Nb2O5 (525 °C) and TiO2 (500 °C) after 30 days of incubation. Rod-like CaP deposits were observed on the surfaces using Scanning Electron Microscopy (FE-SEM) and Grazing Incidence-X-ray Diffraction (GI-XRD) shows that the deposits were X-ray amorphous. Cell viability was higher with the TiO2 (122%) samples when compared to the growing cell population while Nb2O5 samples exhibited a range of viability (64-105%), partially dependent on materials atomic structure. Copyright © 2015 Elsevier B.V. All rights reserved.

Search for magnetism in transition metal atoms doped tetragonal graphene: A DFT approach

NASA Astrophysics Data System (ADS)

Chowdhury, Suman; Majumdar, Arnab; Jana, Debnarayan

2017-11-01

The discovery of different two-dimensional (2D) materials both theoretically and experimentally, can change the scenario of the current electronic industry because of their intriguing properties. Among the 2D materials, the first one which was discovered experimentally was graphene. In this work we have studied the electronic and magnetic properties of a new allotrope of disordered graphene, which is not hexagonal, rather possesses tetragonal symmetry known as T-graphene (TG). Density functional theory (DFT) has been thoroughly employed to study the relevant electronic properties. In previous works, it has been reported that pristine TG is non-magnetic. It is also known that, introducing transition metal (TM) atoms is a feasible way to control the electronic and magnetic properties. Here we have reported the relevant properties of four TM atoms i.e. Sc, V, Cr and Mn doped TG. From the defect formation energy study, it has been noticed that all the structures are endothermic in nature. For each case, we have found appreciable amount of magnetic moment. With increasing atomic weight of the dopant atom, the magnitude of the magnetic moment also increases. We have tried to explain this magnetic ordering with the help of spin-polarized partial density of states (PDOS). Controlling spin degrees of freedom is important for building spintronic devices. From that point of view, we hope this study will be useful to build TG based spintronic devices.

Graph Theoretical Representation of Atomic Asymmetry and Molecular Chirality of Benzenoids in Two-Dimensional Space

PubMed Central

Zhao, Tanfeng; Zhang, Qingyou; Long, Hailin; Xu, Lu

2014-01-01

In order to explore atomic asymmetry and molecular chirality in 2D space, benzenoids composed of 3 to 11 hexagons in 2D space were enumerated in our laboratory. These benzenoids are regarded as planar connected polyhexes and have no internal holes; that is, their internal regions are filled with hexagons. The produced dataset was composed of 357,968 benzenoids, including more than 14 million atoms. Rather than simply labeling the huge number of atoms as being either symmetric or asymmetric, this investigation aims at exploring a quantitative graph theoretical descriptor of atomic asymmetry. Based on the particular characteristics in the 2D plane, we suggested the weighted atomic sum as the descriptor of atomic asymmetry. This descriptor is measured by circulating around the molecule going in opposite directions. The investigation demonstrates that the weighted atomic sums are superior to the previously reported quantitative descriptor, atomic sums. The investigation of quantitative descriptors also reveals that the most asymmetric atom is in a structure with a spiral ring with the convex shape going in clockwise direction and concave shape going in anticlockwise direction from the atom. Based on weighted atomic sums, a weighted F index is introduced to quantitatively represent molecular chirality in the plane, rather than merely regarding benzenoids as being either chiral or achiral. By validating with enumerated benzenoids, the results indicate that the weighted F indexes were in accordance with their chiral classification (achiral or chiral) over the whole benzenoids dataset. Furthermore, weighted F indexes were superior to previously available descriptors. Benzenoids possess a variety of shapes and can be extended to practically represent any shape in 2D space—our proposed descriptor has thus the potential to be a general method to represent 2D molecular chirality based on the difference between clockwise and anticlockwise sums around a molecule. PMID:25032832

Atomic Theory and Multiple Combining Proportions: The Search for Whole Number Ratios.

PubMed

Usselman, Melvyn C; Brown, Todd A

2015-04-01

John Dalton's atomic theory, with its postulate of compound formation through atom-to-atom combination, brought a new perspective to weight relationships in chemical reactions. A presumed one-to-one combination of atoms A and B to form a simple compound AB allowed Dalton to construct his first table of relative atomic weights from literature analyses of appropriate binary compounds. For such simple binary compounds, the atomic theory had little advantages over affinity theory as an explanation of fixed proportions by weight. For ternary compounds of the form AB2, however, atomic theory made quantitative predictions that were not deducible from affinity theory. Atomic theory required that the weight of B in the compound AB2 be exactly twice that in the compound AB. Dalton, Thomas Thomson and William Hyde Wollaston all published within a few years of each other experimental data that claimed to give the predicted results with the required accuracy. There are nonetheless several experimental barriers to obtaining the desired integral multiple proportions. In this paper I will discuss replication experiments which demonstrate that only Wollaston's results are experimentally reliable. It is likely that such replicability explains why Wollaston's experiments were so influential.

Diagnostics of Carbon Nanotube Formation in a Laser Produced Plume: An Investigation of the Metal Catalyst by Laser Ablation Atomic Fluorescence Spectroscopy

NASA Technical Reports Server (NTRS)

deBoer, Gary; Scott, Carl

2003-01-01

Carbon nanotubes, elongated molecular tubes with diameters of nanometers and lengths in microns, hold great promise for material science. Hopes for super strong light-weight material to be used in spacecraft design is the driving force behind nanotube work at JSC. The molecular nature of these materials requires the appropriate tools for investigation of their structure, properties, and formation. The mechanism of nanotube formation is of particular interest because it may hold keys to controlling the formation of different types of nanotubes and allow them to be produced in much greater quantities at less cost than is currently available. This summer's work involved the interpretation of data taken last summer and analyzed over the academic year. The work involved diagnostic studies of carbon nanotube formation processes occurring in a laser-produced plume. Laser ablation of metal doped graphite to produce a plasma plume in which carbon nanotubes self assemble is one method of making carbon nanotube. The laser ablation method is amenable to applying the techniques of laser spectroscopy, a powerful tool for probing the energies and dynamics of atomic and molecular species. The experimental work performed last summer involved probing one of the metal catalysts, nickel, by laser induced fluorescence. The nickel atom was studied as a function of oven temperature, probe laser wavelength, time after ablation, and position in the laser produced plume. This data along with previously obtained data on carbon was analyzed over the academic year. Interpretations of the data were developed this summer along with discussions of future work. The temperature of the oven in which the target is ablated greatly influences the amount of material ablated and the propagation of the plume. The ablation conditions and the time scale of atomic and molecular lifetimes suggest that initial ablation of the metal doped carbon target results in atomic and small molecular species. The metal atoms survive for several milliseconds while the gaseous carbon atoms and small molecules nucleate more rapidly. Additional experiments and the development of in situ methods for carbon nanotube detection would allow these results to be interpreted from the perspective of carbon nanotube formation.

Uncertainty propagation for the coulometric measurement of the plutonium concentration in MOX-PU4.

DOE Office of Scientific and Technical Information (OSTI.GOV)

None, None

This GUM WorkbenchTM propagation of uncertainty is for the coulometric measurement of the plutonium concentration in a Pu standard material (C126) supplied as individual aliquots that were prepared by mass. The C126 solution had been prepared and as aliquoted as standard material. Samples are aliquoted into glass vials and heated to dryness for distribution as dried nitrate. The individual plutonium aliquots were not separated chemically or otherwise purified prior to measurement by coulometry in the F/H Laboratory. Hydrogen peroxide was used for valence adjustment. The Pu assay measurement results were corrected for the interference from trace iron in the solutionmore » measured for assay. Aliquot mass measurements were corrected for air buoyancy. The relative atomic mass (atomic weight) of the plutonium from X126 certoficate was used. The isotopic composition was determined by thermal ionization mass spectrometry (TIMS) for comparison but not used in calculations.« less

Physical particularities of nuclear reactors using heavy moderators of neutrons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kulikov, G. G., E-mail: ggkulikov@mephi.ru; Shmelev, A. N.

2016-12-15

In nuclear reactors, thermal neutron spectra are formed using moderators with small atomic weights. For fast reactors, inserting such moderators in the core may create problems since they efficiently decelerate the neutrons. In order to form an intermediate neutron spectrum, it is preferable to employ neutron moderators with sufficiently large atomic weights, using {sup 233}U as a fissile nuclide and {sup 232}Th and {sup 231}Pa as fertile ones. The aim of the work is to investigate the properties of heavy neutron moderators and to assess their advantages. The analysis employs the JENDL-4.0 nuclear data library and the SCALE program packagemore » for simulating the variation of fuel composition caused by irradiation in the reactor. The following main results are obtained. By using heavy moderators with small neutron moderation steps, one is able to (1) increase the rate of resonance capture, so that the amount of fertile material in the fuel may be reduced while maintaining the breeding factor of the core; (2) use the vacant space for improving the fuel-element properties by adding inert, strong, and thermally conductive materials and by implementing dispersive fuel elements in which the fissile material is self-replenished and neutron multiplication remains stable during the process of fuel burnup; and (3) employ mixtures of different fertile materials with resonance capture cross sections in order to increase the resonance-lattice density and the probability of resonance neutron capture leading to formation of fissile material. The general conclusion is that, by forming an intermediate neutron spectrum with heavy neutron moderators, one can use the fuel more efficiently and improve nuclear safety.« less

40 KG Sample of Fish-Clay from Stevns Klint, Denmark

NASA Astrophysics Data System (ADS)

Gwozdz, R.; Hansen, H. J.; Rasmussen, K. L.

1992-07-01

In March 1986 a 50-m-long exposure of the cliff at Stevns Klint fell down and exposed about 40 square meters of Fish Clay. Due to this extraordinary event we were able to pick by hand about 50 kg black KT boundary layer material. After drying, the material was homogenized using a wooden pestle and an agate mortar. The powdered material was sieved through 200 mesh nylon gauze. The fraction larger than 200 mesh was collected and powdered again in an agate mortar. After four repetitions the amount of material with grain size less than 200 mesh was about 40 kg. The fraction larger than 200 mesh was reduced to about 7 kg. The 40-kg powder was mixed in a rotating polyethylene drum for three weeks. The material was analyzed by instrumental neutron activation analysis, atomic absorption and X-ray fluorescence analysis for about 40 elements. INAA was made on 20 aliquots with weight about 300 mg, 20 aliquots with weight about 80 mg, and 30 with weights between 10 and 20 mg. The preliminary results show that our KT boundary sample (1) is very homogeneous, (2) is very close in composition to other K-T boundary clays analyzed by us or described in the literature, and (3) has an Ir concentration of 32 +- 2 ng/g. We hope that our Fish Clay sample (termed by us "Mesozoic Midnight") after analysis in other laboratories and by other analytical methods may qualify as reference material in analytical work on boundary clay material.

Heat receivers for solar dynamic space power systems

NASA Astrophysics Data System (ADS)

Perez-Davis, Marla Esther

A review of state-of-the-art technology is presented and discussed for phase change materials. Some of the advanced solar dynamic designs developed as part of the Advanced Heat Receiver Conceptual Design Study performed for LeRC are discussed. The heat receivers are analyzed and several recommendations are proposed, including two new concepts. The first concept evaluated the effect of tube geometries inside the heat receiver. It was found that a triangular configuration would provide better heat transfer to the working fluid, although not necessarily with a reduction in receiver size. A sensible heat receiver considered in this study uses vapor grown graphite fiber-carbon (VGCF/C) composite as the thermal storage media and was designed for a 7 kW Brayton engine. The proposed heat receiver stores the required energy to power the system during eclipse in the VGCF/C composite. The heat receiver analysis was conducted through the Systems Improved Numerical Differencing Analyzer and Fluid Integrator (SINDA) software package. The proposed heat receiver compares well with other latent and advanced sensible heat receivers while avoiding the problems associated with latent heat storage salts and liquid metal heat pipes. The weight and size of the system can be optimized by changes in geometry and technology advances for this new material. In addition to the new concepts, the effect of atomic oxygen on several materials is reviewed. A test was conducted for atomic oxygen attack on boron nitride, which experienced a negligible mass loss when exposed to an atomic oxygen fluence of 5 x 10 exp 21 atoms/sq cm. This material could be used to substitute the graphite aperture plate of the heat receiver.

Coatings could protect composites from hostile space environment

NASA Technical Reports Server (NTRS)

Whitaker, Ann F.

1991-01-01

An experiment has been conducted on about 100 different material/process combinations, most of which were candidates for use in solar arrays having high power-to-weight ratios. These substances were exposed to the LEO environment during Long-Duration Exposure Facility Experiment A0171 in order to evaluate the synergistic effects of the LEO environment on the materials' mechanical, electrical, and optical properties. Materials evaluated include solar cells, cover slips having antireflectance coatings, adhesives, encapsulants, reflective materials, mast and harness materials, structural composites, and thermal control thin films. About one-sixth of the experiment tray was devoted to composite-material tensile specimens, which were specifically to be studied for changes in their mechanical properties. Preliminary results of the surface-damage evaluation are presented. These surface effects are dominated by atomic-oxygen erosion and micrometeoroid/space debris impacts.

Microbial conversion of low-rank coal: characterization of biodegraded product

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, B.W.; Bean, R.M.; Franz, J.A.

The authors have characterized products obtained from the action of the fungus Polyporus versicolor on oxidized North Dakota (ND) lignite. These analyses showed that, compared to feed coal, the bioconverted materials had higher hydrogen:carbon and oxygen:carbon ratios, but were proportionately lower in aliphatic hydrogen, as determined by infrared (IR) spectroscopy. The acid-precipitated extract was dissolved in dilute base and analyzed by /sup 13/C nuclear magnetic resonance (NMR) spectroscopy. Of the 60% of the carbon accounted for, approximately 51% of the carbon atoms were aromatic, 20% were assigned to carboxylic acid groups, and the remainder were aliphatic carbon. Proton NMR spectramore » of the acid-precipitated material revealed approximately equal proportions of aromatic and aliphatic hydrogen. The bioconverted materials were highly polar and exhibited a wide range in apparent molecular weight; most material was over 10,000 Da at acidic pH, as determined by ultrafiltration experiments. Freeze-dried product material was soluble in water but was essentially insoluble in other organic solvents. Calorimetric measurements on samples of the freeze-dried extract showed that, on a per-weight basis, it retained 94-97% of the heating value of the feed coal. 12 references, 5 figures, 2 tables.« less

Toward New Horizons. Volume 7. Aircraft Fuels and Propellants

DTIC Science & Technology

1946-05-01

energy in the exhaust gas. At the high -power rich condition, a relatively large amount of chemical heat is discarded in the form of unburned carbon...mental studies on the preparation, properties, and methods of use of low-weight high - energy -producing materials, such as metallic hydrides, atomic and...LIMITED POWER The foregoing discussion has been predicated upon the need for a plentiful liquid fuel of high energy content and more particularly upon

Atomic weights: no longer constants of nature

USGS Publications Warehouse

Coplen, Tyler B.; Holden, Norman E.

2011-01-01

Many of us were taught that the standard atomic weights we found in the back of our chemistry textbooks or on the Periodic Table of the Chemical Elements hanging on the wall of our chemistry classroom are constants of nature. This was common knowledge for more than a century and a half, but not anymore. The following text explains how advances in chemical instrumentation and isotopic analysis have changed the way we view atomic weights and why they are no longer constants of nature

Boron-Based Hydrogen Storage: Ternary Borides and Beyond

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vajo, John J.

DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slowmore » rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.« less

Calibrated sulfur isotope abundance ratios of three IAEA sulfur isotope reference materials and V-CDT with a reassessment of the atomic weight of sulfur

NASA Astrophysics Data System (ADS)

Ding, T.; Valkiers, S.; Kipphardt, H.; De Bièvre, P.; Taylor, P. D. P.; Gonfiantini, R.; Krouse, R.

2001-08-01

Calibrated values have been obtained for sulfur isotope abundance ratios of sulfur isotope reference materials distributed by the IAEA (Vienna). For the calibration of the measurements, a set of synthetic isotope mixtures were prepared gravimetrically from high purity Ag2S materials enriched in32S, 33S, and 34S. All materials were converted into SF6 gas and subsequently, their sulfur isotope ratios were measured on the SF5+ species using a special gas source mass spectrometer equipped with a molecular flow inlet system (IRMM's Avogadro II amount comparator). Values for the 32S/34S abundance ratios are 22.650 4(20), 22.142 4(20), and 23.393 3(17) for IAEA-S-1, IAEA-S-2, and IAEA-S-3, respectively. The calculated 32S/34S abundance ratio for V-CDT is 22.643 6(20), which is very close to the calibrated ratio obtained by Ding et al. (1999). In this way, the zero point of the VCDT scale is anchored firmly to the international system of units SI. The 32S/33S abundance ratios are 126.942(47), 125.473(55), 129.072(32), and 126.948(47) for IAEA-S-1, IAEA-S-2, IAEA-S-3, and V-CDT, respectively. In this way, the linearity of the V-CDT scale is improved over this range. The values of the sulfur molar mass for IAEA-S-1 and V-CDT were calculated to be 32.063 877(56) and 32.063 911(56), respectively, the values with the smallest combined uncertainty ever reported for the sulfur molar masses (atomic weights).

Communication: Hilbert-space partitioning of the molecular one-electron density matrix with orthogonal projectors

NASA Astrophysics Data System (ADS)

Vanfleteren, Diederik; Van Neck, Dimitri; Bultinck, Patrick; Ayers, Paul W.; Waroquier, Michel

2010-12-01

A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the electron density) is extended to atomic weight matrices. These are constructed to be orthogonal projection operators on atomic subspaces, which has significant advantages in the interpretation of the bond contributions. In close analogy to the iterative Hirshfeld procedure, self-consistency is built in at the level of atomic charges and occupancies. The method is applied to a test set of about 67 molecules, representing various types of chemical binding. A close correlation is observed between the atomic charges and the Hirshfeld-I atomic charges.

Methylocystis strain SB2 materials and methods

DOEpatents

Semrau, Jeremy D; Gallagher, Warren; Yoon, Sukhwan; Im, Jeongdae; DiSpririto, Alan A; Lee, Sung-Woo; Hartsel, Scott; McEllistrem, Marcus T

2014-01-14

The present disclosures provides isolated or purified compounds, each of which bind to a metal atom. Generally, the compounds are small in size (e.g., molecular weight of less than about 1 kDa) and peptidic in nature, inasmuch as the compounds comprise amino acids. In some embodiments, the compound comprises a structure of Formula I; M.sub.1-P.sub.1-M.sub.2-P.sub.2 wherein each of P.sub.1 and P.sub.2 is a peptide comprising at least two amino acids, M.sub.1 is a first metal binding moiety comprising a substituted imidazolone ring, M.sub.2 is a second metal binding moiety comprising a substituted oxazolone ring, and wherein M.sub.1 and M.sub.2 bind to a single metal atom. Also provided are related complexes, conjugates, cells which synthesize the compounds of the present disclosures, substantially homogenous cultures thereof, kits and compositions, and methods of making or using the materials of the present disclosures.

2D Organic Materials for Optoelectronic Applications.

PubMed

Yang, Fangxu; Cheng, Shanshan; Zhang, Xiaotao; Ren, Xiaochen; Li, Rongjin; Dong, Huanli; Hu, Wenping

2018-01-01

The remarkable merits of 2D materials with atomically thin structures and optoelectronic attributes have inspired great interest in integrating 2D materials into electronics and optoelectronics. Moreover, as an emerging field in the 2D-materials family, assembly of organic nanostructures into 2D forms offers the advantages of molecular diversity, intrinsic flexibility, ease of processing, light weight, and so on, providing an exciting prospect for optoelectronic applications. Herein, the applications of organic 2D materials for optoelectronic devices are a main focus. Material examples include 2D, organic, crystalline, small molecules, polymers, self-assembly monolayers, and covalent organic frameworks. The protocols for 2D-organic-crystal-fabrication and -patterning techniques are briefly discussed, then applications in optoelectronic devices are introduced in detail. Overall, an introduction to what is known and suggestions for the potential of many exciting developments are presented. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of processing parameters on microstructure of MoS{sub 2} ultra-thin films synthesized by chemical vapor deposition method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Yang; You, Suping; Sun, Kewei

2015-06-15

MoS{sub 2} ultra-thin layers are synthesized using a chemical vapor deposition method based on the sulfurization of molybdenum trioxide (MoO{sub 3}). The ultra-thin layers are characterized by X-ray diffraction (XRD), photoluminescence (PL) spectroscopy and atomic force microscope (AFM). Based on our experimental results, all the processing parameters, such as the tilt angle of substrate, applied voltage, heating time and the weight of source materials have effect on the microstructures of the layers. In this paper, the effects of such processing parameters on the crystal structures and morphologies of the as-grown layers are studied. It is found that the film obtainedmore » with the tilt angle of 0.06° is more uniform. A larger applied voltage is preferred to the growth of MoS{sub 2} thin films at a certain heating time. In order to obtain the ultra-thin layers of MoS{sub 2}, the weight of 0.003 g of source materials is preferred. Under our optimal experimental conditions, the surface of the film is smooth and composed of many uniformly distributed and aggregated particles, and the ultra-thin MoS{sub 2} atomic layers (1∼10 layers) covers an area of more than 2 mm×2 mm.« less

Metal clusters and nanoparticles in dielectric matrices: Formation and optical properties

NASA Astrophysics Data System (ADS)

Gladskikh, I. A.; Vartanyan, T. A.

2016-12-01

The optical properties of thin dielectric films with metal inclusions and their dependence on thermal and laser annealing are studied experimentally. Metal clusters (Ag, Au, and Cu) in dielectric materials (Al2O3 and SiO2) are obtained by simultaneous vacuum deposition of metal and dielectric on the surface of a corresponding dielectric substrate (sapphire and quartz). It is shown that, depending on the deposited dielectric material, on the weight ratio of deposited metal and dielectric, and on the subsequent thermal treatment, one can obtain different metal structures, from clusters with a small number of atoms to complex dendritic plasmonic structures.

Superimposition of protein structures with dynamically weighted RMSD.

PubMed

Wu, Di; Wu, Zhijun

2010-02-01

In protein modeling, one often needs to superimpose a group of structures for a protein. A common way to do this is to translate and rotate the structures so that the square root of the sum of squares of coordinate differences of the atoms in the structures, called the root-mean-square deviation (RMSD) of the structures, is minimized. While it has provided a general way of aligning a group of structures, this approach has not taken into account the fact that different atoms may have different properties and they should be compared differently. For this reason, when superimposed with RMSD, the coordinate differences of different atoms should be evaluated with different weights. The resulting RMSD is called the weighted RMSD (wRMSD). Here we investigate the use of a special wRMSD for superimposing a group of structures with weights assigned to the atoms according to certain thermal motions of the atoms. We call such an RMSD the dynamically weighted RMSD (dRMSD). We show that the thermal motions of the atoms can be obtained from several sources such as the mean-square fluctuations that can be estimated by Gaussian network model analysis. We show that the superimposition of structures with dRMSD can successfully identify protein domains and protein motions, and that it has important implications in practice, e.g., in aligning the ensemble of structures determined by nuclear magnetic resonance.

Thermodynamic stability of boron: the role of defects and zero point motion.

PubMed

van Setten, Michiel J; Uijttewaal, Matthé A; de Wijs, Gilles A; de Groot, Robert A

2007-03-07

Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and theoreticians. Even the ground state of this element is still under discussion. For over 30 years, scientists have attempted to determine the relative stability of alpha- and beta-rhombohedral boron. We use density functional calculations in the generalized gradient approximation to study a broad range of possible beta-rhombohedral structures containing interstitial atoms and partially occupied sites within a 105 atoms framework. The two most stable structures are practically degenerate in energy and semiconducting. One contains the experimental 320 atoms in the hexagonal unit cell, and the other contains 106 atoms in the triclinic unit cell. When populated with the experimental 320 electrons, the 106 atom structure exhibits a band gap of 1.4 eV and an in-gap hole trap at 0.35 eV above the valence band, consistent with known experiments. The total energy of these two structures is 23 meV/B lower than the original 105 atom framework, but it is still 1 meV/B above the alpha phase. Adding zero point energies finally makes the beta phase the ground state of elemental boron by 3 meV/B. At finite temperatures, the difference becomes even larger.

Leaded electronic waste is a possible source material for lead-contaminated jewelry.

PubMed

Weidenhamer, Jeffrey D; Clement, Michael L

2007-10-01

Highly leaded jewelry, often imported from China, remains widely available in the United States. Leaded electronic waste is exported from the United States to several Asian countries where solder is recovered and circuit boards are stripped of parts in small workshops. To assess whether electronic waste is being recycled into the jewelry, lead, tin and copper content of highly leaded jewelry samples were determined by atomic absorption spectrometry. Sixteen jewelry items previously determined to contain 20-80% lead by weight were analyzed. Samples were digested in nitric acid for analysis of lead and copper, and in aqua regia for analysis of tin. Six samples contained significant amounts of tin, from 20.8% to 29.9% by weight. In addition, copper was a significant minor component of five of these samples (up to 4% by weight). Copper (present at 10-40% by weight in circuit boards) was shown to rapidly move into heated lead-tin solder. The combined lead-tin-copper content of these six items ranges from 93.5% to 100%, suggestive of a solder-based source material. These results are consistent with the hypothesis that recycled circuit board solders are being used to produce some of the heavily leaded imported jewelry sold in the United States. Should this hypothesis be substantiated, it suggests that environmental policies to protect children's health must address both proper recycling of source materials as well as restrictions of the lead content in consumer goods.

Synthesis of ZnO:As Films Using Off-Axis Sputtering Deposition

NASA Technical Reports Server (NTRS)

Zhu, Shen; Su, Ching-Hua; Lehoczky, S. L.; Rose, M. Franklin (Technical Monitor)

2001-01-01

As a novel oxide semiconductor material, ZnO is interesting for use in many applications. For fabricating electronic devices, it is important to have n- and p- type ZnO materials. Arsenic has been proven to be one of the p-type dopants for ZnO materials. However, information in studying the ZnAsO ternary compound films has been scarce. In order to investigate the morphology, structure and electrical properties of ZnAsO ternary compounds, ZnO:As films have been synthesized using off-axis sputtering deposition on various substrates including (100) Si and (0001) sapphire crystals. Films are grown under various growth conditions. ZnO:As targets with the atomic weight ratios of arsenic to zinc from 0.01 to 0.10 are used for film synthesis. The growth temperatures and pressures range from 350 to 550C and 5 to 150 mTorr, respectively. Argon to oxygen gas ratio for film growth is varied to examine the film quality as well. Film surface morphology, crystal structure, and compositions, are characterized using atomic force microscopy, x-ray diffraction, and energy dispersive spectroscopy, respectively. The compositions of target material and ZnO:As films grown under various conditions are then assessed. The electrical properties were also measured. The detail of these measurements will be discussed in the presentation.

Materials selection for long life in LEO: A critical evaluation of atomic oxygen testing with thermal atom systems

NASA Technical Reports Server (NTRS)

Koontz, S. L.; Kuminecz, J.; Leger, L.; Nordine, P.

1988-01-01

The use of thermal atom test methods as a materials selection and screening technique for low-Earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined to be in thermal atom environments are compared to those observed in LEO and in high quality LEO simulations. Reaction efficiencies measured in a new type of thermal atom apparatus are one-hundredth to one-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of 8 in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain specific thermal test environments can be used as reliable materials screening tools. Using thermal atom methods to predict material lifetime in LEO requires direct calibration of the method against LEO data or high quality simulation data for each material.

Method for large-scale fabrication of atomic-scale structures on material surfaces using surface vacancies

DOEpatents

Lim, Chong Wee; Ohmori, Kenji; Petrov, Ivan Georgiev; Greene, Joseph E.

2004-07-13

A method for forming atomic-scale structures on a surface of a substrate on a large-scale includes creating a predetermined amount of surface vacancies on the surface of the substrate by removing an amount of atoms on the surface of the material corresponding to the predetermined amount of the surface vacancies. Once the surface vacancies have been created, atoms of a desired structure material are deposited on the surface of the substrate to enable the surface vacancies and the atoms of the structure material to interact. The interaction causes the atoms of the structure material to form the atomic-scale structures.

Materials selection for long life in low earth orbit - A critical evaluation of atomic oxygen testing with thermal atom systems

NASA Technical Reports Server (NTRS)

Koontz, S. L.; Albyn, K.; Leger, L.

1990-01-01

The use of thermal atom test methods as a materials selection and screening technique for low-earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined in thermal atom environments are compared with those observed in LEO and in high-quality LEO simulations. Reaction efficiencies (cu cm/atom) measured in a new type of thermal atom apparatus are one-thousandth to one ten-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of eight in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain speciic thermal atom test environments can be used as reliable materials screening tools.

Solar Concentrator Advanced Development Program, Task 1

NASA Technical Reports Server (NTRS)

1986-01-01

Solar dynamic power generation has been selected by NASA to provide power for the space station. Solar dynamic concentrator technology has been demonstrated for terrestrial applications but has not been developed for space applications. The object of the Solar Concentrator Advanced Development program is to develop the technology of solar concentrators which would be used on the space station. The first task of this program was to develop conceptual concentrator designs and perform trade-off studies and to develop a materials data base and perform material selection. Three unique concentrator concepts; Truss Hex, Spline Radial Panel and Domed Fresnel, were developed and evaluated against weighted trade criteria. The Truss Hex concept was recommended for the space station. Materials data base development demonstrated that several material systems are capable of withstanding extended periods of atomic oxygen exposure without undesirable performance degradation. Descriptions of the conceptual designs and materials test data are included.

ALLOY COMPOSITION FOR NEUTRONIC REACTOR CONTROL RODS

DOEpatents

Lustman, B.; Losco, E.F.; Snyder, H.J.; Eggleston, R.R.

1963-01-22

This invention relates to alloy compositons suitable as cortrol rod material consisting of, by weight, from 85% to 85% Ag, from 2% to 20% In, from up to 10% of Cd, from up to 5% Sn, and from up to 1.5% Al, the amount of each element employed being determined by the equation X + 2Y + 3Z + 3W + 4V = 1.4 and less, where X, Y, Z, W, and V represent the atom fractions of the elements Ag, Cd, In, Al and Sn. (AEC)

Isotopic compositions of the elements 2013 (IUPAC Technical Report)

USGS Publications Warehouse

Meija, Juris; Coplen, Tyler B.; Berglund, Michael; Brand, Willi A.; De Bièvre, Paul; Gröning, Manfred; Holden, Norman E.; Irrgeher, Johanna; Loss, Robert D.; Walczyk, Thomas; Prohaska, Thomas

2016-01-01

The Commission on Isotopic Abundances and Atomic Weights (ciaaw.org) of the International Union of Pure and Applied Chemistry (iupac.org) has revised the Table of Isotopic Compositions of the Elements (TICE). The update involved a critical evaluation of the recent published literature. The new TICE 2013 includes evaluated data from the “best measurement” of the isotopic abundances in a single sample, along with a set of representative isotopic abundances and uncertainties that accommodate known variations in normal terrestrial materials.

Origin of phase shift in atomic force microscopic investigation of the surface morphology of NR/NBR blend film.

PubMed

Thanawan, S; Radabutra, S; Thamasirianunt, P; Amornsakchai, T; Suchiva, K

2009-01-01

Atomic force microscopy (AFM) was used to study the morphology and surface properties of NR/NBR blend. Blends at 1/3, 1/1 and 3/1 weight ratios were prepared in benzene and formed film by casting. AFM phase images of these blends in tapping mode displayed islands in the sea morphology or matrix-dispersed structures. For blend 1/3, NR formed dispersed phase while in blends 1/1 and 3/1 phase inversion was observed. NR showed higher phase shift angle in AFM phase imaging for all blends. This circumstance was governed by adhesion energy hysteresis between the device tip and the rubber surface rather than surface stiffness of the materials, as proved by force distance measurements in the AFM contact mode.

Transparent Metal-Salt-Filled Polymeric Radiation Shields

NASA Technical Reports Server (NTRS)

Edwards, David; Lennhoff, John; Harris, George

2003-01-01

"COR-RA" (colorless atomic oxygen resistant -- radiation shield) is the name of a transparent polymeric material filled with x-ray-absorbing salts of lead, bismuth, cesium, and thorium. COR-RA is suitable for use in shielding personnel against bremsstrahlung radiation from electron-beam welding and industrial and medical x-ray equipment. In comparison with lead-foil and leaded-glass shields that give equivalent protection against x-rays (see table), COR-RA shields are mechanically more durable. COR-RA absorbs not only x-rays but also neutrons and rays without adverse effects on optical or mechanical performance. The formulation of COR-RA with the most favorable mechanical-durability and optical properties contains 22 weight percent of bismuth to absorb x-rays, plus 45 atomic percent hydrogen for shielding against neutrons.

Space Station Freedom Solar Array design development

NASA Technical Reports Server (NTRS)

Winslow, Cindy; Bilger, Kevin; Baraona, Cosmo R.

1989-01-01

The Space Station Freedom Solar Array Program is required to provide a 75 kW power module that uses eight solar array (SA) wings over a four-year period in low Earth orbit (LEO). Each wing will be capable of providing 23.4 kW at the 4-year design point. Lockheed Missles and Space Company, Inc. (LMSC) is providing the flexible substrate SAs that must survive exposure to the space environment, including atomic oxygen, for an operating life of fifteen years. Trade studies and development testing, important for evolving any design to maturity, are presently underway at LMSC on the flexible solar array. The trade study and development areas being investigated include solar cell module size, solar cell weld pads, panel stiffener frames, materials inherently resistant to atomic oxygen, and weight reduction design alternatives.

Ultra-Fast RAFT-HDA Click Conjugation: An Efficient Route to High Molecular Weight Block Copolymers.

PubMed

Inglis, Andrew J; Stenzel, Martina H; Barner-Kowollik, Christopher

2009-11-02

The use of the reversible addition fragmentation chain transfer-hetero Diels-Alder (RAFT-HDA) click reaction for the modular construction of block copolymers is extended to the generation of high molecular weight materials. Cyclopentadienyl end-functionalized polystyrene (PS-Cp) prepared via both atom transfer radical polymerization (ATRP) and the RAFT process are conjugated to poly(isobornyl acrylate) (PiBoA) (also prepared via RAFT polymerization) to achieve well-defined block copolymers with molecular weights ranging from 34 000 to over 100 000 g · mol(-1) and with small polydispersities (PDI < 1.2). The conjugation reactions proceeded in a very rapid fashion (less than 10 min in the majority of cases) under ambient conditions of temperature and atmosphere. The present study demonstrates-for the first time-that RAFT-HDA click chemistry can provide access to high molecular weight block copolymers in a simple and straight-forward fashion. Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

29 CFR 1910.1096 - Ionizing radiation.

Code of Federal Regulations, 2012 CFR

2012-07-01

... material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Nuclear... material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as... source material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of...

29 CFR 1910.1096 - Ionizing radiation.

Code of Federal Regulations, 2011 CFR

2011-07-01

... material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Nuclear... material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as... source material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of...

29 CFR 1910.1096 - Ionizing radiation.

Code of Federal Regulations, 2014 CFR

2014-07-01

... material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Nuclear... material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as... source material, byproduct material, or special nuclear material, as defined in the Atomic Energy Act of...

Hydrogen-based electrochemical energy storage

DOEpatents

Simpson, Lin Jay

2013-08-06

An energy storage device (100) providing high storage densities via hydrogen storage. The device (100) includes a counter electrode (110), a storage electrode (130), and an ion conducting membrane (120) positioned between the counter electrode (110) and the storage electrode (130). The counter electrode (110) is formed of one or more materials with an affinity for hydrogen and includes an exchange matrix for elements/materials selected from the non-noble materials that have an affinity for hydrogen. The storage electrode (130) is loaded with hydrogen such as atomic or mono-hydrogen that is adsorbed by a hydrogen storage material such that the hydrogen (132, 134) may be stored with low chemical bonding. The hydrogen storage material is typically formed of a lightweight material such as carbon or boron with a network of passage-ways or intercalants for storing and conducting mono-hydrogen, protons, or the like. The hydrogen storage material may store at least ten percent by weight hydrogen (132, 134) at ambient temperature and pressure.

Functional Interfaces Constructed by Controlled/Living Radical Polymerization for Analytical Chemistry.

PubMed

Wang, Huai-Song; Song, Min; Hang, Tai-Jun

2016-02-10

The high-value applications of functional polymers in analytical science generally require well-defined interfaces, including precisely synthesized molecular architectures and compositions. Controlled/living radical polymerization (CRP) has been developed as a versatile and powerful tool for the preparation of polymers with narrow molecular weight distributions and predetermined molecular weights. Among the CRP system, atom transfer radical polymerization (ATRP) and reversible addition-fragmentation chain transfer (RAFT) are well-used to develop new materials for analytical science, such as surface-modified core-shell particles, monoliths, MIP micro- or nanospheres, fluorescent nanoparticles, and multifunctional materials. In this review, we summarize the emerging functional interfaces constructed by RAFT and ATRP for applications in analytical science. Various polymers with precisely controlled architectures including homopolymers, block copolymers, molecular imprinted copolymers, and grafted copolymers were synthesized by CRP methods for molecular separation, retention, or sensing. We expect that the CRP methods will become the most popular technique for preparing functional polymers that can be broadly applied in analytical chemistry.

THE ABSORPTION PROPERTIES OF LEAD-FREE GARMENTS FOR USE IN RADIATION PROTECTION.

PubMed

Çetin, Hüseyin; Yurt, Aysegül; Yüksel, Serra Haznaci

2017-04-15

In this study, the absorption capability and the weight of various radiation-shielding materials were evaluated, for applications as alternatives to lead garments. Toxicity, atomic number, density, K-edge absorption energy and availability of elements that can serve as an alternative to lead, including tin, antimony, bismuth and tungsten, were considered. The attenuation coefficients of these elements were determined using the XCOM software package, and these metals were mixed with polymers at 50, 70, 80 and 85 % mass ratios. It can be concluded that all of the new shielding materials used in the study can be used for a diagnostic range of X-rays. However, they were compared with the commercial lead garments in terms of weight and attenuation coefficient; the 85 % samples were lighter than a 0.5-mm lead garment and provided superior radiation protection, which demonstrates its potential for commercial applications. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Method and apparatus for producing a thermal atomic oxygen beam

NASA Technical Reports Server (NTRS)

Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

1994-01-01

Atomic oxygen atoms are routed to a material through a sufficiently tortuous path so that vacuum ultraviolet radiation is obstructed from arriving at the surface of the material. However, the material surface continues to be exposed to the atomic oxygen.

The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

NASA Technical Reports Server (NTRS)

Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

1994-01-01

Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

Growth of L-Valinium Aluminium Chloride single crystal for OLED and super-capacitor applications

NASA Astrophysics Data System (ADS)

Kalaivani, D.; Vijayalakshmi, S.; Theras, J. Elberin Mary; Jayaraman, D.; Joseph, V.

2015-12-01

L-Valinium Aluminium Chloride (LVAC), a novel semi-organic material, was grown using slow evaporation under isothermal condition. The single crystal data reveal that the grown crystal belongs to monoclinic system. The SEM micrographs give clear picture about the surface morphology. Further, they confirm the inclusion of aluminium chloride into atomic sites of L-Valine. The compositional elements present in the crystal were identified through EDAX analysis. The mass spectral analysis was carried out to determine the molecular weight of the grown crystal. The optical transparency of the grown crystal was investigated by UV-vis-NIR spectrum. FTIR spectral study was used to identify the functional groups present in the grown material. The luminescence characteristics of grown material were analysed to confirm the effect of metal ion on the ligand. This property makes the material suitable for OLED application. The supercapacitive performance of the grown crystal was finally studied using cyclic voltammetry.

Water-equivalent fiber radiation dosimeter with two scintillating materials

PubMed Central

Qin, Zhuang; Hu, Yaosheng; Ma, Yu; Lin, Wei; Luo, Xianping; Zhao, Wenhui; Sun, Weimin; Zhang, Daxin; Chen, Ziyin; Wang, Boran; Lewis, Elfed

2016-01-01

An inorganic scintillating material plastic optical fiber (POF) dosimeter for measuring ionizing radiation during radiotherapy applications is reported. It is necessary that an ideal dosimeter exhibits many desirable qualities, including water equivalence, energy independence, reproducibility, dose linearity. There has been much recent research concerning inorganic dosimeters. However, little reference has been made to date of the depth-dose characteristics of dosimeter materials. In the case of inorganic scintillating materials, they are predominantly non water-equivalent, with their effective atomic weight (Zeff) being typically much greater than that of water. This has been a barrier in preventing inorganic scintillating material dosimeter from being used in actual clinical applications. In this paper, we propose a parallel-paired fiber light guide structure to solve this problem. Two different inorganic scintillating materials are embedded separately in the parallel-paired fiber. It is shown that the information of water depth and absorbed dose at the point of measurement can be extracted by utilizing their different depth-dose properties. PMID:28018715

10 CFR 8.4 - Interpretation by the General Counsel: AEC jurisdiction over nuclear facilities and materials...

Code of Federal Regulations, 2012 CFR

2012-01-01

... over nuclear facilities and materials under the Atomic Energy Act. 8.4 Section 8.4 Energy NUCLEAR... nuclear facilities and materials under the Atomic Energy Act. (a) By virtue of the Atomic Energy Act of... Atomic Energy Act of 1954 sets out a pattern for licensing and regulation of certain nuclear materials...

10 CFR 8.4 - Interpretation by the General Counsel: AEC jurisdiction over nuclear facilities and materials...

Code of Federal Regulations, 2010 CFR

2010-01-01

... over nuclear facilities and materials under the Atomic Energy Act. 8.4 Section 8.4 Energy NUCLEAR... nuclear facilities and materials under the Atomic Energy Act. (a) By virtue of the Atomic Energy Act of... Atomic Energy Act of 1954 sets out a pattern for licensing and regulation of certain nuclear materials...

10 CFR 8.4 - Interpretation by the General Counsel: AEC jurisdiction over nuclear facilities and materials...

Code of Federal Regulations, 2011 CFR

2011-01-01

... over nuclear facilities and materials under the Atomic Energy Act. 8.4 Section 8.4 Energy NUCLEAR... nuclear facilities and materials under the Atomic Energy Act. (a) By virtue of the Atomic Energy Act of... Atomic Energy Act of 1954 sets out a pattern for licensing and regulation of certain nuclear materials...

Determination of arsenite, arsenate, monomethylarsonic acid and dimethylarsinic acid in cereals by hydride generation atomic fluorescence spectrometry

NASA Astrophysics Data System (ADS)

Matos Reyes, M. N.; Cervera, M. L.; Campos, R. C.; de la Guardia, M.

2007-09-01

A fast, sensitive and simple non-chromatographic analytical method was developed for the speciation analysis of toxic arsenic species in cereal samples, namely rice and wheat semolina. An ultrasound-assisted extraction of the toxic arsenic species was performed with 1 mol L - 1 H 3PO 4 and 0.1% (m/v) Triton XT-114. After extraction, As(III), As(V), dimethylarsinic acid (DMA) and monomethylarsonic acid (MMA) concentrations were determined by hydride generation atomic fluorescence spectrometry using a series of proportional equations corresponding to four different experimental reduction conditions. The detection limits of the method were 1.3, 0.9, 1.5 and 0.6 ng g - 1 for As(III), As(V), DMA and MMA, respectively, expressed in terms of sample dry weight. Recoveries were always greater than 90%, and no species interconversion occurred. The speciation analysis of a rice flour reference material certified for total arsenic led to coherent results, which were also in agreement with other speciation studies made on the same certified reference material.

Physical nature of surface structure degradation in long term operated rails

NASA Astrophysics Data System (ADS)

Gromov, V. E.; Yuriev, A. A.; Peregudov, O. A.; Konovalov, S. V.; Ivanov, Yu. F.; Glezer, A. M.; Semin, A. P.

2017-12-01

Here we present research data on the structural-phase state and surface properties of rails after long-term operation with a transported tonnage of gross weight 500 and 1000 mln tons. Using optical, scanning, and transmission electron diffraction microscopy, and measurements of microhardness and tribological parameters, it is shown that the wear rate of the material after transport of 500 and 1000 mln tons increases 3 and 3.4 times, respectively, and the friction coefficient decreases 1.4 and 1.1 times. After transport of 500 mln tons, complete failure of cementite plates occurs resulting in round cementite particles of size 10-50 nm. After transport of 1000 mln tons, dynamic recrystallization develops in the material. Two competitive mechanisms are suggested for such evolution: (1) decomposition of cementite particles with their transfer to the volume of ferrite grains or plates in pearlite and (2) decomposition and dissolution of cementite particles, transition of carbon atoms to dislocations (to Cottrell atmospheres), transfer of carbon atoms by dislocations to the volume of ferrite grains or plates, and formation of nano-sized cementite particles.

Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach.

PubMed

Oña, Ofelia B; De Clercq, Olivier; Alcoba, Diego R; Torre, Alicia; Lain, Luis; Van Neck, Dimitri; Bultinck, Patrick

2016-09-19

The Fukui function is often used in its atom-condensed form by isolating it from the molecular Fukui function using a chosen weight function for the atom in the molecule. Recently, Fukui functions and matrices for both atoms and bonds separately were introduced for semiempirical and ab initio levels of theory using Hückel and Mulliken atoms-in-molecule models. In this work, a double partitioning method of the Fukui matrix is proposed within the Hirshfeld-I atoms-in-molecule framework. Diagonalizing the resulting atomic and bond matrices gives eigenvalues and eigenvectors (Fukui orbitals) describing the reactivity of atoms and bonds. The Fukui function is the diagonal element of the Fukui matrix and may be resolved in atom and bond contributions. The extra information contained in the atom and bond resolution of the Fukui matrices and functions is highlighted. The effect of the choice of weight function arising from the Hirshfeld-I approach to obtain atom- and bond-condensed Fukui functions is studied. A comparison of the results with those generated by using the Mulliken atoms-in-molecule approach shows low correlation between the two partitioning schemes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Relating electronic and geometric structure of atomic layer deposited BaTiO 3 to its electrical properties

DOE PAGES

Torgersen, Jan; Acharya, Shinjita; Dadlani, Anup Lal; ...

2016-03-24

Atomic layer deposition allows the fabrication of BaTiO 3 (BTO) ultrathin films with tunable dielectric properties, which is a promising material for electronic and optical technology. Industrial applicability necessitates a better understanding of their atomic structure and corresponding properties. Through the use of element-specific X-ray absorption near edge structure (XANES) analysis, O K-edge of BTO as a function of cation composition and underlying substrate (RuO 2 and SiO 2) is revealed. By employing density functional theory and multiple scattering simulations, we analyze the distortions in BTO’s bonding environment captured by the XANES spectra. The spectral weight shifts to lower energymore » with increasing Ti content and provides an atomic scale (microscopic) explanation for the increase in leakage current density. Differences in film morphologies in the first few layers near substrate–film interfaces reveal BTO’s homogeneous growth on RuO 2 and its distorted growth on SiO 2. As a result, this work links structural changes to BTO thin-film properties and provides insight necessary for optimizing future BTO and other ternary metal oxide-based thin-film devices.« less

Structural and electronic properties of copper-doped chalcogenide glasses

NASA Astrophysics Data System (ADS)

Guzman, David M.; Strachan, Alejandro

2017-10-01

Using ab initio molecular dynamics based on density functional theory, we study the atomic and electronic structure, and transport properties of copper-doped germanium-based chalcogenide glasses. These mixed ionic-electronic conductor materials exhibit resistance or threshold switching under external electric field depending on slight variations of chemical composition. Understanding the origin of the transport character is essential for the functionalization of glassy chalcogenides for nanoelectronics applications. To this end, we generated atomic structures for GeX3 and GeX6 (X = S, Se, Te) at different copper concentrations and characterized the atomic origin of electronic states responsible for transport and the tendency of copper clustering as a function of metal concentration. Our results show that copper dissolution energies explain the tendency of copper to agglomerate in telluride glasses, consistent with filamentary conduction. In contrast, copper is less prone to cluster in sulfides and selenides leading to hysteresisless threshold switching where the nature of transport is dominated by electronic midgap defects derived from polar chalcogen bonds and copper atoms. Simulated I -V curves show that at least 35% by weight of copper is required to achieve the current demands of threshold-based devices for memory applications.

Method for producing an atomic oxygen beam

NASA Technical Reports Server (NTRS)

Outlaw, Ronald A. (Inventor)

1989-01-01

A method for producing an atomic oxygen beam is provided by the present invention. First, a material 10' is provided which dissociates molecular oxygen and dissolves atomic oxygen into its bulk. Next, molecular oxygen is exposed to entrance surface 11' of material 10'. Next, material 10' is heated by heater 17' to facilitate the permeation of atomic oxygen through material 10' to the UHV side 12'. UHV side 12' is interfaced with an ultra-high vacuum (UHV) environment provided by UHV pump 15'. The atomic oxygen on the UHV side 12' is excited to a non-binding state by exciter 14' thus producing the release of atomic oxygen to form an atomic oxygen beam 35'.

High resistivity iron-based, thermally stable magnetic material for on-chip integrated inductors

DOEpatents

Deligianni, Hariklia; Gallagher, William J.; Mason, Maurice; O'Sullivan, Eugene J.; Romankiw, Lubomyr T.; Wang, Naigang

2017-03-07

An on-chip magnetic structure includes a palladium activated seed layer and a substantially amorphous magnetic material disposed onto the palladium activated seed layer. The substantially amorphous magnetic material includes nickel in a range from about 50 to about 80 atomic % (at. %) based on the total number of atoms of the magnetic material, iron in a range from about 10 to about 50 at. % based on the total number of atoms of the magnetic material, and phosphorous in a range from about 0.1 to about 30 at. % based on the total number of atoms of the magnetic material. The magnetic material can include boron in a range from about 0.1 to about 5 at. % based on the total number of atoms of the magnetic material.

Fast atom bombardment mass spectrometry of condensed tannin sulfonate derivatives

Treesearch

J.J. Karchesy; L.Y. Foo; Richard W. Hemingway; E. Barofsky; D.F. Barofsky

1989-01-01

Condensed tannin sulfonate derivatives were studied by fast atom bombardment mass spectrometry (FAB-MS) to assess the feasibility of using this technique for determining molecular weight and structural information about these compounds. Both positive- and negative-ion spectra provided useful data with regard to molecular weight, cation species present, and presence of...

Four space application material coatings on the Long-Duration Exposure Facility (LDEF)

NASA Technical Reports Server (NTRS)

Scialdone, John J.; Clatterbuck, Carroll

1995-01-01

Four material coatings of different thicknesses were flown on the LDEF to determine their ability to perform in the harsh space environment. The coatings, located in the ram direction of the spacecraft, were exposed for 10 months to the low-Earth orbit (LEO) environments experienced by the LDEF at an orbit of 260 nautical miles. They consisted of indium oxide (In2O3), silicon oxide (SiO(x)), clear RTV silicone, and silicone with silicate-treated zinc oxide (ZnO). These coatings were flown to assess their behavior when exposed to atomic oxygen and to confirm their good radiative properties, stability, electrical conductivity, and resistance to UV exposure. The flown samples were checked and compared with the reference unflown samples using high-magnification optical inspection, ESCA analysis, weight changes, and dimensional changes. These comparisons indicated the following. The 1000 A SiO(x) coating eroded uniformly, with minor changes in its radiative properties. The 100 A In2O3 coating eroded completely down to the Kapton backing, with resultant losses of reflectance. The RTV-615 showed erosion, with carbon (C) content losses, while the Si remained constant, with a doubling of the oxygen (O) concentration. The RTV-615 silicone with K2SiO3-treated ZnO changed from flat to glossy white in appearance. It lost C, was etched, and increased its O content. The upper layers showed no remaining Zn or K. Losses of reflectance occurred within certain wavelength bands. It was not possible to evaluate the experimental oxygen reaction rate using the calculated atomic oxygen fluence of 2.6 x 10(exp 20) atoms/cm(exp 2) for the exposure of these coatings during the flight. The bakeout of the coatings was not carried out prior to the flight. Hence, the coating weight and dimensional losses included losses by outgassing products.

Science and Emerging Technology of 2D Atomic Layered Materials and Devices

DTIC Science & Technology

2017-09-09

AFRL-AFOSR-JP-TR-2017-0067 Science & Emerging Technology of 2D Atomic Layered Materials and Devices Angel Rubio UNIVERSIDAD DEL PAIS VASCO - EUSKAL...Emerging Technology of 2D Atomic Layered Materials and Devices 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386-15-1-0006 5c.  PROGRAM ELEMENT NUMBER...reporting documents for AOARD project 144088, “2D Materials and Devices Beyond Graphene Science & Emerging Technology of 2D Atomic Layered Materials and

High resistivity iron-based, thermally stable magnetic material for on-chip integrated inductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deligianni, Hariklia; Gallagher, William J.; Mason, Maurice

An on-chip magnetic structure includes a palladium activated seed layer and a substantially amorphous magnetic material disposed onto the palladium activated seed layer. The substantially amorphous magnetic material includes nickel in a range from about 50 to about 80 atomic % (at. %) based on the total number of atoms of the magnetic material, iron in a range from about 10 to about 50 at. % based on the total number of atoms of the magnetic material, and phosphorous in a range from about 0.1 to about 30 at. % based on the total number of atoms of the magneticmore » material. The magnetic material can include boron in a range from about 0.1 to about 5 at. % based on the total number of atoms of the magnetic material.« less

Impact of nuclear transmutations on the primary damage production: The example of Ni based steels

NASA Astrophysics Data System (ADS)

Luneville, Laurence; Sublet, Jean Christphe; Simeone, David

2018-07-01

The recent nuclear evaluations describe more accurately the elastic and inelastic neutron-atoms interactions and allow calculating more realistically primary damage induced by nuclear reactions. Even if these calculations do not take into account relaxation processes occurring at the end of the displacement cascade (calculations are performed within the Binary Collision Approximation), they can accurately describe primary and recoil spectra in different reactors opening the door for simulating aging of nuclear materials with Ion Beam facilities. Since neutrons are only sensitive to isotopes, these spectra must be calculated weighting isotope spectra by the isotopic composition of materials under investigation. To highlight such a point, primary damage are calculated in pure Ni exhibiting a meta-stable isotope produced under neutron flux by inelastic neutron-isotope processes. These calculations clearly point out that the instantaneous primary damage production, the displacement per atom rate (dpa/s), responsible for the micro-structure evolution, strongly depends on the 59N i isotopic fractions closely related to the inelastic neutron isotope processes. Since the isotopic composition of the meta-stable isotope vanishes for large fluences, the long term impact of this isotope does not largely modify drastically the total dpa number in Ni based steels materials irradiate in nuclear plants.

General corrosion properties of modified PNC1520 austenitic stainless steel in supercritical water as a fuel cladding candidate material for supercritical water reactor

NASA Astrophysics Data System (ADS)

Nakazono, Y.; Iwai, T.; Abe, H.

2010-03-01

The Super-Critical Water-cooled Reactor (SCWR) has been designed and investigated because of its high thermal efficiency and plant simplification. There are some advantages including the use of a single phase coolant with high enthalpy but there are numerous potential problems, particularly with materials. As the operating temperature of supercritical water reactor will be between 280°C and 620°C with a pressure of 25MPa, the selection of materials is difficult and important. Austenitic stainless steels were selected for possible use in supercritical water systems because of their corrosion resistance and radiation resistance. The PNC1520 austenitic stainless steel developed by Japan Atomic Energy Agency (JAEA) as a nuclear fuel cladding material for a Na-cooled fast breeder reactor. The corrosion data of PNC1520 in supercritical water (SCW) is required but does not exist. The purpose of the present study is to research the corrosion properties for PNC1520 austenitic stainless steel in supercritical water. The supercritical water corrosion test was performed for the standard PNC1520 (1520S) and the Ti-additional type of PNC1520 (1520Ti) by using a supercritical water autoclave. Corrosion tests on the austenitic 1520S and 1520Ti steels in supercritical water were performed at 400, 500 and 600°C with exposures up to 1000h. The amount of weight gain, weight loss and weight of scale were evaluated after the corrosion test in supercritical water for both austenitic steels. After 1000h corrosion test performed, the weight gains of both austenitic stainless steels were less than 2 g/m2 at 400°C and 500°C . But both weight gain and weight loss of 1520Ti were larger than those of 1520S at 600°C . By increasing the temperature to 600°C, the surface of 1520Ti was covered with magnetite formed in supercritical water and dissolution of the steel alloying elements has been observed. In view of corrosion, 1520S may have larger possibility than 1520Ti to adopt a supercritical water reactor core fuel cladding.

Photoluminescence of epoxy resin modified by carbazole and its halogen derivative at 82 K

NASA Astrophysics Data System (ADS)

Mandowska, E.; Mandowski, A.; Tsvirko, M.

2009-10-01

The spectra and relative quantum yield of fluorescence and phosphorescence were measured for 9-(2,3-epoxypropyl)carbazole (EPK) added to epoxy resin (R) (R 5EPK - 5% weight content of the carbazole group in a polymer) and its mono and dihalogen derivative (Cl and Br). The materials under study have excellent mechanical properties. At 82 K photoluminescence (PL) spectra of these materials are composed of fluorescence (FL) and phosphorescence (PH) components while at 280 K, PH component is not observed. The vibrational frequencies of fluorescence and phosphorescence for R 5EPK were determined using Gaussian deconvolution. A decrease in the fluorescence and an increase in the phosphorescence quantum efficiency were observed after chemical bonding of heavy atoms Cl and Br.

Design and Synthesis of Network-Forming Triblock Copolymers Using Tapered Block Interfaces

PubMed Central

Kuan, Wei-Fan; Roy, Raghunath; Rong, Lixia; Hsiao, Benjamin S.; Epps, Thomas H.

2012-01-01

We report a strategy for generating novel dual-tapered poly(isoprene-b-isoprene/styrene-b-styrene-b-styrene/methyl methacrylate-b-methyl methacrylate) [P(I-IS-S-SM-M)] triblock copolymers that combines anionic polymerization, atom transfer radical polymerization (ATRP), and Huisgen 1,3-dipolar cycloaddition click chemistry. The tapered interfaces between blocks were synthesized via a semi-batch feed using programmable syringe pumps. This strategy allows us to manipulate the transition region between copolymer blocks in triblock copolymers providing control over the interfacial interactions in our nanoscale phase-separated materials independent of molecular weight and block constituents. Additionally, we show the ability to retain a desirous and complex multiply-continuous network structure (alternating gyroid) in our dual-tapered triblock material. PMID:23066522

Comparison of the Atomic Oxygen Erosion Depth and Cone Height of Various Materials at Hyperthermal Energy

NASA Technical Reports Server (NTRS)

Waters, Deborah L.; Banks, Bruce A.; Thorson, Stephen D.; deGroh, Kim, K.; Miller, Sharon K.

2007-01-01

Atomic oxygen readily reacts with most spacecraft polymer materials exposed to the low Earth orbital (LEO) environment. If the atomic oxygen arrival comes from a fixed angle of impact, the resulting erosion will foster the development of a change in surface morphology as material thickness decreases. Hydrocarbon and halopolymer materials, as well as graphite, are easily oxidized and textured by directed atomic oxygen in LEO at energies of approx.4.5 eV. What has been curious is that the ratio of cone height to erosion depth is quite different for different materials. The formation of cones under fixed direction atomic oxygen attack may contribute to a reduction in material tensile strength in excess of that which would occur if the cone height to erosion depth ratio was very low because of greater opportunities for crack initiation. In an effort to understand how material composition affects the ratio of cone height to erosion depth, an experimental investigation was conducted on 18 different materials exposed to a hyperthermal energy directed atomic oxygen source (approx.70 eV). The materials were first salt-sprayed to provide microscopic local areas that would be protected from atomic oxygen. This allowed erosion depth measurements to be made by scanning microscopy inspection. The polymers were then exposed to atomic oxygen produced by an end Hall ion source that was operated on pure oxygen. Samples were exposed to an atomic oxygen effective fluence of 1.0x10(exp 20) atoms/sq cm based on Kapton H polyimide erosion. The average erosion depth and average cone height were determined using field emission scanning electron microscopy (FESEM). The experimental ratio of average cone height to erosion depth is compared to polymer composition and other properties.

Atomic Oxygen Effects

NASA Technical Reports Server (NTRS)

Miller, Sharon K. R.

2014-01-01

Atomic oxygen, which is the most predominant species in low Earth orbit, is highly reactive and can break chemical bonds on the surface of a wide variety of materials leading to volatilization or surface oxidation which can result in failure of spacecraft materials and components. This presentation will give an overview of how atomic oxygen reacts with spacecraft materials, results of space exposure testing of a variety of materials, and examples of failures caused by atomic oxygen.

Polymeric Materials With Additives for Durability and Radiation Shielding in Space

NASA Technical Reports Server (NTRS)

Kiefer, Richard

2011-01-01

Polymeric materials are attractive for use in space structures because of their light weight and high strength In addition, polymers are made of elements with low atomic numbers (Z), primarily carbon (C), hydrogen (H), oxygen (0), and nitrogen (N) which provide the best shielding from galactic cosmic rays (GCR) (ref. 1). Galactic cosmic rays are composed primarily of nuclei (i.e., fully ionized atoms) plus a contribution of about 2% from electrons and positrons. There is a small but significant component of GCR particles with high charge (Z > 10) and high energy (E >100 GeV) (ref. 2). These so-called HZE particles comprise only 1 to 2% of the cosmic ray fluence but they interact with very high specific ionization and contribute 50% of the long- term dose to humans. The best shield for this radiation would be liquid hydrogen, which is not feasible. For this reason, hydrogen-containing polymers make the most effective practical shields. Moreover, neutrons are formed in the interactions of GCR particles with materials. Neutrons can only lose energy by collisions or reactions with a nucleus since they are uncharged. This is a process that is much less probable than the Coulombic interactions of charged particles. Thus, neutrons migrate far from the site of the reaction in which they were formed. This increases the probability of neutrons reaching humans or electronic equipment. Fast neutrons (> 1 MeV) can interact with silicon chips in electronic equipment resulting in the production of recoil ions which can cause single event upsets (SEU) in sensitive components (ref. 3). Neutrons lose energy most effectively by elastic collisions with light atoms, particularly hydrogen atoms. Therefore, hydrogen-containing polymers are not only effective in interacting with GCR particles; they are also effective in reducing the energy of the neutrons formed in the interactions.

Atomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals

NASA Astrophysics Data System (ADS)

Pašti, Igor A.; Jovanović, Aleksandar; Dobrota, Ana S.; Mentus, Slavko V.; Johansson, Börje; Skorodumova, Natalia V.

2018-04-01

The understanding of atomic adsorption on graphene is of high importance for many advanced technologies. Here we present a complete database of the atomic adsorption energies for the elements of the Periodic Table up to the atomic number 86 (excluding lanthanides) on pristine graphene. The energies have been calculated using the projector augmented wave (PAW) method with PBE, long-range dispersion interaction corrected PBE (PBE+D2, PBE+D3) as well as non-local vdW-DF2 approach. The inclusion of dispersion interactions leads to an exothermic adsorption for all the investigated elements. Dispersion interactions are found to be of particular importance for the adsorption of low atomic weight earth alkaline metals, coinage and s-metals (11th and 12th groups), high atomic weight p-elements and noble gases. We discuss the observed adsorption trends along the groups and rows of the Periodic Table as well some computational aspects of modelling atomic adsorption on graphene.

Evaluation of Radiation Shielding Properties of the Polyvinyl Alcohol/Iron Oxide Polymer Composite

PubMed Central

Srinivasan, K.; Samuel, E. James Jabaseelan

2017-01-01

Context: Lead is the conventional shielding material against gamma/X-rays. It has some limitations such as toxic, high density, nonflexibility, and also bremsstrahlung production during electron interaction. It may affect the accuracy of radiotherapy outcome. Aims: To theoretically analyze the radiation shielding properties of flexible polyvinyl alcohol/iron oxide polymer composite with five different concentrations of magnetite over the energy range of 15 KeV–20 MeV. Subjects and Methods: Radiological properties were calculated based on the published literature. Attenuation coefficients of pure elements are generated with the help of WinXCOM database. Results: Effective atomic numbers and electron density are increased with the concentration of magnetite. On the other hand, the number of electrons per gram decreased. Mass attenuation coefficient (μ/ϼ) and linear attenuation coefficients (μ) are higher in the lower energy <100 KeV, and their values decreased when the energy increased. Computed tomography numbers (CT) show the significant variation between the concentrations in <60 KeV. Half-value layer and tenth-value layers are directly proportional to the energy and indirectly proportional to the concentration of magnetite. Transmission curve, relaxation length (ƛ), kinetic energy released in the matter, and elemental weight fraction are also calculated and the results are discussed. Conclusions: 0.5% of the magnetite gives superior shielding properties compared with other concentrations. It may be due to the presence of 0.3617% of Fe. Elemental weight fraction, atomic number, photon energy, and mass densities are the important parameters to understand the shielding behavior of any material. PMID:29296043

Quantification of the resist dissolution process: an in situ analysis using high speed atomic force microscopy

NASA Astrophysics Data System (ADS)

Santillan, Julius Joseph; Shichiri, Motoharu; Itani, Toshiro

2016-03-01

This work focuses on the application of a high speed atomic force microscope (HS-AFM) for the in situ visualization / quantification of the resist dissolution process. This technique, as reported in the past, has provided useful pointers on the formation of resist patterns during dissolution. This paper discusses about an investigation made on the quantification of what we refer to as "dissolution unit size" or the basic units of patterning material dissolution. This was done through the establishment of an originally developed analysis method which extracts the difference between two succeeding temporal states of the material film surface (images) to indicate the amount of change occurring in the material film at a specific span of time. Preliminary experiments with actual patterning materials were done using a positive-tone EUV model resist composed only of polyhydroxystyrene (PHS)-based polymer with a molecular weight of 2,500 and a polydispersity index of 1.2. In the absence of a protecting group, the material was utilized at a 50nm film thickness with post application bake of 90°C/60s. The resulting film is soluble in the alkali-based developer even without exposure. Results have shown that the dissolution components (dissolution unit size) of the PHS-based material are not of fixed size. Instead, it was found that aside from one constantly dissolving unit size, another, much larger dissolution unit size trend also occurs during material dissolution. The presence of this larger dissolution unit size suggests an occurrence of "polymer clustering". Such polymer clustering was not significantly present during the initial stages of dissolution (near the original film surface) but becomes more persistently obvious after the dissolution process reaches a certain film thickness below the initial surface.

28 CFR 13.6 - Criteria for reward.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS... reward under the Atomic Weapons and Special Nuclear Materials Rewards Act must be original, and must..., acquire or export special nuclear material or atomic weapons, or (5) Loss, diversion or disposal or...

28 CFR 13.6 - Criteria for reward.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS... reward under the Atomic Weapons and Special Nuclear Materials Rewards Act must be original, and must..., acquire or export special nuclear material or atomic weapons, or (5) Loss, diversion or disposal or...

28 CFR 13.6 - Criteria for reward.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS... reward under the Atomic Weapons and Special Nuclear Materials Rewards Act must be original, and must..., acquire or export special nuclear material or atomic weapons, or (5) Loss, diversion or disposal or...

28 CFR 13.6 - Criteria for reward.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS... reward under the Atomic Weapons and Special Nuclear Materials Rewards Act must be original, and must..., acquire or export special nuclear material or atomic weapons, or (5) Loss, diversion or disposal or...

28 CFR 13.6 - Criteria for reward.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS... reward under the Atomic Weapons and Special Nuclear Materials Rewards Act must be original, and must..., acquire or export special nuclear material or atomic weapons, or (5) Loss, diversion or disposal or...

The hybrid lattice of K(x)Fe(2-y)Se2: where superconductivity and magnetism coexist.

PubMed

Louca, Despina; Park, Keeseong; Li, Bing; Neuefeind, Joerg; Yan, Jiaqiang

2013-01-01

Much remains unknown of the microscopic origin of superconductivity in atomically disordered systems of amorphous alloys or in crystals riddled with defects. A manifestation of this conundrum is envisaged in the highly defective superconductor of K(x)Fe(2-y)Se2. How can superconductivity survive under such crude conditions that call for strong electron localization? Here, we show that the Fe sublattice is locally distorted and accommodates two kinds of Fe valence environments giving rise to a bimodal bond-distribution, with short and long Fe bonds. The bimodal bonds are present even as the system becomes superconducting in the presence of antiferromagnetism, with the weight continuously shifting from the short to the long with increasing K content. Such a hybrid state is most likely found in cuprates as well while our results point to the importance of the local atomic symmetry by which exchange interactions between local moments materialize.

Mitigating leaks in membranes

DOEpatents

Karnik, Rohit N.; Bose, Suman; Boutilier, Michael S.H.; Hadjiconstantinou, Nicolas G.; Jain, Tarun Kumar; O'Hern, Sean C.; Laoui, Tahar; Atieh, Muataz A.; Jang, Doojoon

2018-02-27

Two-dimensional material based filters, their method of manufacture, and their use are disclosed. In one embodiment, a membrane may include an active layer including a plurality of defects and a deposited material associated with the plurality of defects may reduce flow therethrough. Additionally, a majority of the active layer may be free from the material. In another embodiment, a membrane may include a porous substrate and an atomic layer deposited material disposed on a surface of the porous substrate. The atomic layer deposited material may be less hydrophilic than the porous substrate and an atomically thin active layer may be disposed on the atomic layer deposited material.

In Situ Atom Probe Deintercalation of Lithium-Manganese-Oxide.

PubMed

Pfeiffer, Björn; Maier, Johannes; Arlt, Jonas; Nowak, Carsten

2017-04-01

Atom probe tomography is routinely used for the characterization of materials microstructures, usually assuming that the microstructure is unaltered by the analysis. When analyzing ionic conductors, however, gradients in the chemical potential and the electric field penetrating dielectric atom probe specimens can cause significant ionic mobility. Although ionic mobility is undesirable when aiming for materials characterization, it offers a strategy to manipulate materials directly in situ in the atom probe. Here, we present experimental results on the analysis of the ionic conductor lithium-manganese-oxide with different atom probe techniques. We demonstrate that, at a temperature of 30 K, characterization of the materials microstructure is possible without measurable Li mobility. Also, we show that at 298 K the material can be deintercalated, in situ in the atom probe, without changing the manganese-oxide host structure. Combining in situ atom probe deintercalation and subsequent conventional characterization, we demonstrate a new methodological approach to study ionic conductors even in early stages of deintercalation.

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Rui; Chen, Chien-Chun; Wu, Li

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

Three-dimensional coordinates of individual atoms in materials revealed by electron tomography

DOE PAGES

Xu, Rui; Chen, Chien-Chun; Wu, Li; ...

2015-09-21

Crystallography, the primary method for determining the 3D atomic positions in crystals, has been fundamental to the development of many fields of science. However, the atomic positions obtained from crystallography represent a global average of many unit cells in a crystal. In this paper, we report, for the first time, the determination of the 3D coordinates of thousands of individual atoms and a point defect in a material by electron tomography with a precision of ~19 pm, where the crystallinity of the material is not assumed. From the coordinates of these individual atoms, we measure the atomic displacement field andmore » the full strain tensor with a 3D resolution of ~1 nm 3 and a precision of ~10 -3, which are further verified by density functional theory calculations and molecular dynamics simulations. Finally, the ability to precisely localize the 3D coordinates of individual atoms in materials without assuming crystallinity is expected to find important applications in materials science, nanoscience, physics, chemistry and biology.« less

Deciphering chemical order/disorder and material properties at the single-atom level.

PubMed

Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.

Multimillion Atom Simulations of Nanoenergetic Materials

DTIC Science & Technology

2014-12-01

L R E P O R T DTRA-TR-14-46 Multimillion Atom Simulations of Nanoenergetic Materials Distribution Statement A. Approved for public release...December 2009 Multimillion Atom Simulations of Nanoenergetic Materials HDTRA1-07-1-0023 Priya Vashishta Rajiv K. Kalia Aiichiro Nakano Collaboratory for...Technical Report (December 18, 2006—December 17, 2009) Defense Threat Reduction Agency Grant # HDTRA1-07-1-0023 Multimillion Atom Simulations of

Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat

DTIC Science & Technology

2013-04-01

DTRA-TR-13-23 Synthesis, Characterization, and Multimillion -Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat Approved for...reagents for the destruction of biologically active materials and a simulation of their reactions on a multimillion atom scale with quantum...explosives for destruction of chemical & biological agents. Multimillion -atom molecular dynamics simulations with quantum mechanical accuracy were

Reaction and Protection of Electrical Wire Insulators in Atomic-oxygen Environments

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheh; Cantrell, Gidget

1994-01-01

Atomic-oxygen erosion on spacecraft in low Earth orbit is an issue which is becoming increasingly important because of the growing number of spacecraft that will fly in the orbits which have high concentrations of atomic oxygen. In this investigation, the atomic-oxygen durability of three types of electrical wire insulation (carbon-based, fluoropolymer, and polysiloxane elastomer) were evaluated. These insulation materials were exposed to thermal-energy atomic oxygen, which was obtained by RF excitation of air at a pressure of 11-20 Pa. The effects of atomic-oxygen exposure on insulation materials indicate that all carbon-based materials erode at about the same rate as polyamide Kapton and, therefore, are not atomic-oxygen durable. However, the durability of fluoropolymers needs to be evaluated on a case by case basis because the erosion rates of fluoropolymers vary widely. For example, experimental data suggest the formation of atomic fluorine during atomic-oxygen amorphous-fluorocarbon reactions. Dimethyl polysiloxanes (silicone) do not lose mass during atomic-oxygen exposure, but develop silica surfaces which are under tension and frequently crack as a result of loss of methyl groups. However, if the silicone sample surfaces were properly pretreated to provide a certain roughness, atomic oxygen exposure resulted in a sturdy, non-cracked atomic-oxygen durable SiO2 layer. Since the surface does not crack during such silicone-atomic oxygen reaction, the crack-induced contamination by silicone can be reduced or completely stopped. Therefore, with proper pretreatment, silicone can be either a wire insulation material or a coating on wire insulation materials to provide atomic-oxygen durability.

Space Environmentally Durable Polyimides and Copolyimides

NASA Technical Reports Server (NTRS)

Connell, John W. (Inventor); Smith, Joseph G. (Inventor); Hergenrother, Paul M. (Inventor); Watson, Kent A. (Inventor); Thompson, Craig M. (Inventor)

2006-01-01

Polyimides displaying low color in thin films, atomic oxygen resistance, vacuum ultraviolet radiation resistance, solubility in organic solvents in the imide form, high glass transition (T(sub g)) temperatures, and high thermal stability are provided. The poly(amide acid)s, copoly(amide acid)s, polyimides and copolyimides are prepared by the reaction of stoichiometric ratios of an aromatic &anhydride with diamines which contain phenylphosphine oxide groups in polar aprotic solvents. Controlled molecular weight oligomeric (amide acid)s and imides can be prepared by offsetting the stoichiometry according to the Carothers equation using excess diamine and endcapping with aromatic anhydrides. The polyimide materials can be processed into various material forms such as thin films, fibers, foams, threads, adhesive film, coatings, dry powders, and fiber coated prepreg, and uses include thin film membranes on antennas, second-surface mirrors, thermal optical coatings, and multilayer thermal insulation (MLI) blanket materials.

Space Environmentally Durable Polyimides and Copolyimides

NASA Technical Reports Server (NTRS)

Connell, John W. (Inventor); Smith, Joseph G., Jr. (Inventor); Hergenrother, Paul M. (Inventor); Watson, Kent A. (Inventor); Thompson, Craig M. (Inventor)

2005-01-01

Polyimides displaying low color in thin films, atomic oxygen resistance, vacuum ultraviolet radiation resistance, solubility in organic solvents in the imide form, high glass transition (T(sub g)) temperatures, and high thermal stability are provided. The poly(amide acid)s, copoly(amide acid)s, polyimides and copolyimides are prepared by the reaction of stoichiometric ratios of an aromatic dianhydride with diamines which contain phenylphosphine oxide groups in polar aprotic solvents. Controlled molecular weight oligomeric (amide acid)s and imides can be prepared by offsetting the stoichiometry according to the Carothers equation using excess diamine and endcapping with aromatic anhydrides The polyimide materials can be processed into various material forms such as thin films, fibers, foams, threads, adhesive film, coatings, dry powders, and fiber coated prepreg, and uses include thin film membranes on antennas, second-surface mirrors, thermal optical coatings, and multilayer thermal insulation (MLI) blanket materials.

10 CFR 30.4 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-01-01

... that amount of radioactive material which disintegrates at the rate of 37 billion atoms per second... material which disintegrates at the rate of 37 thousand atoms per second; Millicurie means that amount of radioactive material which disintegrates at the rate of 37 million atoms per second; Particle accelerator...

Quantitative Assessment of the Impact of Fluorine Substitution on P-Glycoprotein (P-gp) Mediated Efflux, Permeability, Lipophilicity, and Metabolic Stability.

PubMed

Pettersson, Martin; Hou, Xinjun; Kuhn, Max; Wager, Travis T; Kauffman, Gregory W; Verhoest, Patrick R

2016-06-09

Strategic replacement of one or more hydrogen atoms with fluorine atom(s) is a common tactic to improve potency at a given target and/or to modulate parameters such as metabolic stability and pKa. Molecular weight (MW) is a key parameter in design, and incorporation of fluorine is associated with a disproportionate increase in MW considering the van der Waals radius of fluorine versus hydrogen. Herein we examine a large compound data set to understand the effect of introducing fluorine on the risk of encountering P-glycoprotein mediated efflux (as measured by MDR efflux ratio), passive permeability, lipophilicity, and metabolic stability. Statistical modeling of the MDR ER data demonstrated that an increase in MW as a result of introducing fluorine atoms does not lead to higher risk of P-gp mediated efflux. Fluorine-corrected molecular weight (MWFC), where the molecular weight of fluorine has been subtracted, was found to be a more relevant descriptor.

Directed Atom-by-Atom Assembly of Dopants in Silicon.

PubMed

Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R

2018-05-17

The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.

Modifying the anti-wetting property of butterfly wings and water strider legs by atomic layer deposition coating: surface materials versus geometry.

PubMed

Ding, Yong; Xu, Sheng; Zhang, Yue; Wang, Aurelia C; Wang, Melissa H; Xiu, Yonghao; Wong, Ching Ping; Wang, Zhong Lin

2008-09-03

Although butterfly wings and water strider legs have an anti-wetting property, their working conditions are quite different. Water striders, for example, live in a wet environment and their legs need to support their weight and bear the high pressure during motion. In this work, we have focused on the importance of the surface geometrical structures in determining their performance. We have applied an atomic layer deposition technique to coat the surfaces of both butterfly wings and water strider legs with a uniform 30 nm thick hydrophilic Al(2)O(3) film. By keeping the surface material the same, we have studied the effect of different surface roughness/structure on their hydrophobic property. After the surface coating, the butterfly wings changed to become hydrophilic, while the water strider legs still remained super-hydrophobic. We suggest that the super-hydrophobic property of the water strider is due to the special shape of the long inclining spindly cone-shaped setae at the surface. The roughness in the surface can enhance the natural tendency to be hydrophobic or hydrophilic, while the roughness in the normal direction of the surface is favorable for forming a composite interface.

Operation of the computer model for direct atomic oxygen exposure of Earth satellites

NASA Technical Reports Server (NTRS)

Bourassa, R. J.; Gruenbaum, P. E.; Gillis, J. R.; Hargraves, C. R.

1995-01-01

One of the primary causes of material degradation in low Earth orbit (LEO) is exposure to atomic oxygen. When atomic oxygen molecules collide with an orbiting spacecraft, the relative velocity is 7 to 8 km/sec and the collision energy is 4 to 5 eV per atom. Under these conditions, atomic oxygen may initiate a number of chemical and physical reactions with exposed materials. These reactions contribute to material degradation, surface erosion, and contamination. Interpretation of these effects on materials and the design of space hardware to withstand on-orbit conditions requires quantitative knowledge of the atomic oxygen exposure environment. Atomic oxygen flux is a function of orbit altitude, the orientation of the orbit plan to the Sun, solar and geomagnetic activity, and the angle between exposed surfaces and the spacecraft heading. We have developed a computer model to predict the atomic oxygen exposure of spacecraft in low Earth orbit. The application of this computer model is discussed.

The reaction efficiency of thermal energy oxygen atoms with polymeric materials

NASA Technical Reports Server (NTRS)

Koontz, S. L.; Nordine, Paul

1990-01-01

The reaction efficiency of several polymeric materials with thermal-energy (0.04 eV translational energy), ground-state (O3P) oxygen atoms was determined by exposing the materials to a room temperature gas containing a known concentration of atomic oxygen. The reaction efficiency measurements were conducted in two flowing afterglow systems of different configuration. Atomic oxygen concentration measurements, flow, transport and surface dose analysis is presented in this paper. The measured reaction efficiencies of Kapton, Mylar, polyethylene, D4-polyethylene and Tedlar are .001 to .0001 those determined with high-energy ground-state oxygen atoms in low earth orbit or in a high-velocity atom beam. D4-polyethylene exhibits a large kinetic isotope effect with atomic oxygen at thermal but not hyperthermal atom energies.

Space environment effects on polymers in low earth orbit

NASA Astrophysics Data System (ADS)

Grossman, E.; Gouzman, I.

2003-08-01

Polymers are widely used in space vehicles and systems as structural materials, thermal blankets, thermal control coatings, conformal coatings, adhesives, lubricants, etc. The low earth orbit (LEO) space environment includes hazards such as atomic oxygen, UV radiation, ionizing radiation (electrons, protons), high vacuum, plasma, micrometeoroids and debris, as well as severe temperature cycles. Exposure of polymers and composites to the space environment may result in different detrimental effects via modification of their chemical, electrical, thermal, optical and mechanical properties as well as surface erosion. The high vacuum induces material outgassing (e.g. low-molecular weight residues, plasticizers and additives) and consequent contamination of nearby surfaces. The present work reviews the LEO space environment constituents and their interactions with polymers. Examples of degradation of materials exposed in ground simulation facilities are presented. The issues discussed include the erosion mechanisms of polymers, formation of contaminants and their interaction with the space environment, and protection of materials from the harsh space environment.

Iodinated glycidyl methacrylate copolymer as a radiopaque material for biomedical applications.

PubMed

Dawlee, S; Jayabalan, M

2013-07-01

Polymeric biomaterial was synthesized by copolymerizing 50:50 mol% of monomers, glycidyl methacrylate and methyl methacrylate. Iodine atoms were then grafted to the epoxide groups of glycidyl methacrylate units, rendering the copolymer radiopaque. The percentage weight of iodine in the present copolymer was found to be as high as 23%. The iodinated copolymer showed higher glass transition temperature and thermal stability in comparison with unmodified polymer. Radiographic analysis showed that the copolymer possessed excellent radiopacity. The iodinated copolymer was cytocompatible to L929 mouse fibroblast cells. The in vivo toxicological evaluation by intracutaneous reactivity test of the copolymer extracts has revealed that the material was nontoxic. Subcutaneous implantation of iodinated copolymer in rats has shown that the material was well tolerated. Upon explantation and histological examination, no hemorrhage, infection or necrosis was observed. The samples were found to be surrounded by a vascularized capsule consisting of connective tissue cells. The results indicate that the iodinated copolymer is biocompatible and may have suitable applications as implantable materials.

Comments on the interaction of materials with atomic oxygen

NASA Technical Reports Server (NTRS)

Torre, Larry P.; Pippin, H. Gary

1987-01-01

An explanation of the relative resistance of various materials to attack by atomic oxygen is presented. Data from both ground based and on-orbit experiments is interpreted. The results indicate the importance of bond strengths, size and structure of pendant groups, and fluorination to the resistance of certain polymers to atomic oxygen. A theory which provides a partial explanation of the degradation of materials in low Earth orbit due to surface recombination of oxygen atoms is also included. Finally, a section commenting on mechanisms of material degradation is provided.

Deciphering chemical order/disorder and material properties at the single-atom level

DOE PAGES

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; ...

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less

Atomizing apparatus for making polymer and metal powders and whiskers

DOEpatents

Otaigbe, Joshua U.; McAvoy, Jon M.; Anderson, Iver E.; Ting, Jason; Mi, Jia; Terpstra, Robert

2003-03-18

Method for making polymer particulates, such as spherical powder and whiskers, by melting a polymer material under conditions to avoid thermal degradation of the polymer material, atomizing the melt using gas jet means in a manner to form atomized droplets, and cooling the droplets to form polymer particulates, which are collected for further processing. Atomization parameters can be controlled to produce polymer particulates with controlled particle shape, particle size, and particle size distribution. For example, atomization parameters can be controlled to produce spherical polymer powders, polymer whiskers, and combinations of spherical powders and whiskers. Atomizing apparatus also is provided for atoomizing polymer and metallic materials.

All-acrylic multigraft copolymers: Effect of side chain molecular weight and volume fraction on mechanical behavior

DOE PAGES

Goodwin, Andrew; Wang, Weiyu; Kang, Nam -Goo; ...

2015-08-21

We present in this paper the synthesis of poly(n-butyl acrylate)-g-poly(methyl methacrylate) (PnBA-g-PMMA) multigraft copolymers via a grafting-through (macromonomer) approach. The synthesis was performed using two controlled polymerization techniques. The PMMA macromonomer was obtained by high-vacuum anionic polymerization followed by the copolymerization of n-butyl acrylate and PMMA macromonomer using reversible addition–fragmentation chain transfer (RAFT) polymerization to yield the desired all-acrylic multigraft structures. The PnBA-g-PMMA multigraft structures exhibit randomly spaced branch points with various PMMA contents, ranging from 15 to 40 vol %, allowing an investigation into how physical properties vary with differences in the number of branch points and molecular weightmore » of grafted side chains. The determination of molecular weight and polydispersity indices of both the PMMA macromonomer and the graft copolymers was carried out using size exclusion chromatography with triple detection, and the structural characteristics of both the macromonomer and PnBA-g-PMMA graft materials were characterized by 1H and 13C NMR. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry was employed for monitoring the macromonomer synthesis. Thermal characteristics of the materials were analyzed using differential scanning calorimetry and thermogravimetric analysis. The mechanical performance of the graft materials was characterized by rheology and dynamic mechanical analysis, revealing that samples with PMMA content of 25–40 vol % exhibit superior elastomeric properties as compared to materials containing short PMMA side chains or <25 vol % PMMA. In conclusion, atomic force microscopy showed a varying degree of microphase separation between the glassy and rubbery components that is strongly dependent on PMMA side chain molecular weight.« less

Big Atoms for Small Children: Building Atomic Models from Common Materials to Better Visualize and Conceptualize Atomic Structure

ERIC Educational Resources Information Center

Cipolla, Laura; Ferrari, Lia A.

2016-01-01

A hands-on approach to introduce the chemical elements and the atomic structure to elementary/middle school students is described. The proposed classroom activity presents Bohr models of atoms using common and inexpensive materials, such as nested plastic balls, colored modeling clay, and small-sized pasta (or small plastic beads).

Gap Fill Materials Using Cyclodextrin Derivatives in ArF Lithography

NASA Astrophysics Data System (ADS)

Takei, Satoshi; Shinjo, Tetsuya; Sakaida, Yasushi; Hashimoto, Keisuke

2007-11-01

High planarizing gap fill materials based on β-cyclodextrin in ArF photoresist under-layer materials have been developed for fast etching in CF4 gas. Gap fill materials used in the via-first dual damascene process need to have high etch rates to prevent crowning or fencing on top of the trench after etching and a small thickness bias between the dense and blanket areas to minimize issues observed during trench lithography by narrowing the process latitude. Cyclodextrin is a circular oligomer with a nanoscale porous structure that has a high number of oxygen atoms, as calculated using the Ohnishi parameter, providing high etch rates. Additionally, since gap fill materials using cyclodextrin derivatives have low viscosities and molecular weights, they are expected to exhibit excellent flow properties and minimal thermal shrinkage during baking. In this paper, we describe the composition and basic film properties of gap fill materials; planarization in the via-first dual damascene process and etch rates in CF4 gas compared with dextrin with α-glycoside bonds in polysaccharide, poly(2-hydroxypropyl methacrylate) and poly(4-hydroxystyrene). The β-cyclodextrin used in this study was obtained by esterifying the hydroxyl groups of dextrin resulting in improved wettability on via substrates and solubility in photoresist solvents such as propylene glycol monomethyl ether, propylene glycol monomethyl ether acetate and ethyl lactate. Gap fill materials using cyclodextrin derivatives showed good planarization and via filling performance without observing voids in via holes. In addition to superior via filling performance, the etch rate of gap fill materials using β-cyclodextrin derivatives was 2.8-2.9 times higher than that of an ArF photoresist, evaluated under CF4 gas conditions by reactive ion etching. These results were attributed to the combination of both nanoscale porous structures and a high density of oxygen atoms in our gap fill materials using cyclodextrin derivatives. The cyclodextrin derivatives may be applicable as a new type of sacrificial material under the photoresist in ArF lithography.

Calculated Properties of Fully Hydrogenated Single Layers of BN, BC2N, and Graphene: Graphane and Its BN-Containing Analogues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Averill, Frank; Morris, James R; Cooper, Valentino R

2009-01-01

Carbon is an attractive material for hydrogen adsorption, due to its light weight, variety of structures, and ability to both physisorb and chemisorb hydrogen. Recently, fully hydrogenated graphene layers ( graphane ) have been predicted to exist [J.O. Sofo et al., Phys. Rev. B 75, 15340 (2007)], and experimentally observed [D.C. Elias et al., Science 323, 610 (2009)]. In this work, we examine analogues of graphane, in particular BNH2 and BC2NH4. Unlike graphene, these materials have a band gap without hydrogenation. Our results indicate that the hydrogenation product of BN is metastable: the fully hydrogenated compound BNH2 is higher inmore » energy than hexagonal BN sheets plus H2 molecules, in sharp contrast with graphane. We find that BC2NH4 is energetically very close to hexagonal BC2N+2H2 molecules. Furthermore our examination of the relative binding strengths of rows of symmetry related hydrogen atoms on BC2NH4shows that this compound is marginally higher in energy than BC2NH2 plus an H2 molecule, with the hydrogen atoms in BC2NH2 absorbed on the carbon sites. These remaining hydrogen atoms are not as strongly bound as in graphane, indicating that the average hydrogen chemisorption energy is controllable by changing the carbon content in the B-C-N layer.« less

Fabrication of nanoscale to macroscale nickel-multiwall carbon nanotube hybrid materials with tunable material properties

NASA Astrophysics Data System (ADS)

Abdalla, Ahmed M.; Majdi, Tahereh; Ghosh, Suvojit; Puri, Ishwar K.

2016-12-01

To utilize their superior properties, multiwall carbon nanotubes (MWNTs) must be manipulated and aligned end-to-end. We describe a nondestructive method to magnetize MWNTs and provide a means to remotely manipulate them through the electroless deposition of magnetic nickel nanoparticles on their surfaces. The noncovalent bonds between Ni nanoparticles and MWNTs produce a Ni-MWNT hybrid material (NiCH) that is electrically conductive and has an enhanced magnetic susceptibility and elastic modulus. Our experiments show that MWNTs can be plated with Ni for Ni:MWNT weight ratios of γ = 1, 7, 14 and 30, to control the material properties. The phase, atom-level, and morphological information from x-ray diffraction, energy dispersive x-ray spectroscopy, scanning electron microscopy, transmission electron microscopy, dark field STEM, and atomic force microscopy clarify the plating process and reveal the mechanical properties of the synthesized material. Ni metalizes at the surface of the Pd catalyst, forming a continuous wavy layer that encapsulates the MWNT surfaces. Subsequently, Ni acts as an autocatalyst, allowing the plating to continue even after the original Pd catalyst has been completely covered. Raising γ increases the coating layer thickness from 10 to 150 nm, which influences the NiCH magnetic properties and tunes its elastic modulus from 12.5 to 58.7 GPa. The NiCH was used to fabricate Ni-MWNT macrostructures and tune their morphologies by changing the direction of an applied magnetic field. Leveraging the hydrophilic Ni-MWNT outer surface, a water-based conductive ink was created and used to print a conductive path that had an electrical resistivity of 5.9 Ω m, illustrating the potential of this material for printing electronic circuits.

Atomic Oxygen Task

NASA Technical Reports Server (NTRS)

Hadaway, James B.

1997-01-01

This report details work performed by the Center for Applied Optics (CAO) at the University of Alabama in Huntsville (UAH) on the contract entitled 'Atomic Oxygen Task' for NASA's Marshall Space Flight Center (contract NAS8-38609, Delivery Order 109, modification number 1). Atomic oxygen effects on exposed materials remain a critical concern in designing spacecraft to withstand exposure in the Low Earth Orbit (LEO) environment. The basic objective of atomic oxygen research in NASA's Materials & Processes (M&P) Laboratory is to provide the solutions to material problems facing present and future space missions. The objective of this work was to provide the necessary research for the design of specialized experimental test configurations and development of techniques for evaluating in-situ space environmental effects, including the effects of atomic oxygen and electromagnetic radiation on candidate materials. Specific tasks were performed to address materials issues concerning accelerated environmental testing as well as specifically addressing materials issues of particular concern for LDEF analysis and Space Station materials selection.

Comparison of Atomic Oxygen Erosion Yields of Materials at Various Energy and Impact Angles

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Waters, Deborah L.; Thorson, Stephen D.; deGroh, Kim, K.; Snyder, Aaron; Miller, Sharon

2006-01-01

The atomic oxygen erosion yields of various materials, measured in volume of material oxidized per incident atomic oxygen atom, are compared to the commonly accepted standard of Kapton H (DuPont) polyimide. The ratios of the erosion yield of Kapton H to the erosion yield of various materials are not consistent at different atomic oxygen energies. Although it is most convenient to use isotropic thermal energy RF plasma ashers to assess atomic oxygen durability, the results can be misleading because the relative erosion rates at thermal energies are not necessarily the same as low Earth orbital (LEO) energies of approx.4.5 eV. An experimental investigation of the relative atomic oxygen erosion yields of a wide variety of polymers and carbon was conducted using isotropic thermal energy (approx.0.1 eV) and hyperthermal energy (approx.70 eV) atomic oxygen using an RF plasma asher and an end Hall ion source. For hyperthermal energies, the atomic oxygen erosion yields relative to normal incident Kapton H were compared for sweeping atomic oxygen arrival with that of normal incidence arrival. The results of isotropic thermal energy, normal incident, and sweeping incident atomic oxygen are also compared with measured or projected LEO values.

Effects of atomic oxygen on polymeric materials flown on EOIM-3

NASA Technical Reports Server (NTRS)

Kamenetzky, Rachel R.; Linton, Roger C.; Finckenor, Miria M.; Vaughn, Jason A.

1995-01-01

Diverse polymeric materials, including several variations of Kapton, were flown on STS-46 as part of the Evaluation of Oxygen Interaction with Materials Experiment (EOIM-3). These materials were flown in the cargo bay and exposed to the space environment July 31 - August 8, 1992, including 40 hours of direct atomic oxygen impingement. The atomic oxygen exposure was approximately 2.2 x 10(exp 20) atoms/sq cm. Polymeric materials flown on EOIM-3 include coated and uncoated Kapton, Tefzel ETFE, Lexan, FEP and TFE Teflon, bulk Halar and PEEK, S383 silicone and Viton elastomeric seal material. Analyses performed included thickness measurements using Dektak and eddy current methods, mass loss, resistance, permeability, hardness, and FTIR. The effects of stress and the space environment on Kapton were also evaluated. Previous EOIM missions on STS-5 and STS-8 and the Long Duration Exposure Facility also contained polymeric material samples. Data from these previous flights are shown for comparison, as well as ground simulation of space environment effects using both thermal energy flow tubes and 5 eV neutral atomic oxygen beam facilities. Reaction efficiencies for the various atomic oxygen exposure conditions are discussed.

Towards a Negative Refractive Index in an Atomic System

NASA Astrophysics Data System (ADS)

Simmons, Zach; Brewer, Nick; Yavuz, Deniz

2014-05-01

The goal of our experiments is to obtain a negative index of refraction in the optical region of the spectrum using an atomic system. The concept of negative refraction, which was first predicted by Veselago more than four decades ago, has recently emerged as a very exciting field of science. Negative index materials exhibit many seemingly strange properties such as electromagnetic vectors forming a left-handed triad. A key potential application for these materials was discovered in 2000 when Pendry predicted that a slab with a negative refractive index can image objects with a resolution far better than the diffraction limit. Thus far, research in negative index materials has primarily focused on meta-materials. The fixed response and often large absorption of these engineered materials motivates our efforts to work in an atomic system. An atomic media offers the potential to be actively modified, for example by changing laser parameters, and can be tuned to cancel absorption. A doped crystal allows for high atomic densities compared to other atomic systems. So far we have identified a transition in such a material, Eu:YSO, as a candidate for these experiments and are performing spectroscopy on this material.

Spreadsheet-Based Program for Simulating Atomic Emission Spectra

ERIC Educational Resources Information Center

Flannigan, David J.

2014-01-01

A simple Excel spreadsheet-based program for simulating atomic emission spectra from the properties of neutral atoms (e.g., energies and statistical weights of the electronic states, electronic partition functions, transition probabilities, etc.) is described. The contents of the spreadsheet (i.e., input parameters, formulas for calculating…

Method of making polymer powders and whiskers as well as particulate products of the method and atomizing apparatus

DOEpatents

Otaigbe, Joshua U.; McAvoy, Jon M.; Anderson, Iver E.; Ting, Jason; Mi, Jia; Terpstra, Robert

2001-01-09

Method for making polymer particulates, such as spherical powder and whiskers, by melting a polymer material under conditions to avoid thermal degradation of the polymer material, atomizing the melt using gas jet means in a manner to form atomized droplets, and cooling the droplets to form polymer particulates, which are collected for further processing. Atomization parameters can be controlled to produce polymer particulates with controlled particle shape, particle size, and particle size distribution. For example, atomization parameters can be controlled to produce spherical polymer powders, polymer whiskers, and combinations of spherical powders and whiskers. Atomizing apparatus also is provided for atoomizing polymer and metallic materials.

Structure-property relationships in an Al matrix Ca nanofilamentary composite conductor with potential application in high-voltage power transmission

NASA Astrophysics Data System (ADS)

Tian, Liang

This study investigated the processing-structure-properties relationships in an Al/Ca composites using both experiments and modeling/simulation. A particular focus of the project was understanding how the strength and electrical conductivity of the composite are related to its microstructure in the hope that a conducting material with light weight, high strength, and high electrical conductivity can be developed to produce overhead high-voltage power transmission cables. The current power transmission cables (e.g., Aluminum Conductor Steel Reinforced (ACSR)) have acceptable performance for high-voltage AC transmission, but are less well suited for high-voltage DC transmission due to the poorly conducting core materials that support the cable weight. This Al/Ca composite was produced by powder metallurgy and severe plastic deformation by extrusion and swaging. The fine Ca metal powders have been produced by centrifugal atomization with rotating liquid oil quench bath, and a detailed study about the atomization process and powder characteristics has been conducted. The microstructure of Al/Ca composite was characterized by electron microscopy. Microstructure changes at elevated temperature were characterized by thermal analysis and indirect resistivity tests. The strength and electrical conductivity were measured by tensile tests and four-point probe resistivity tests. Predicting the strength and electrical conductivity of the composite was done by micro-mechanics-based analytical modeling. Microstructure evolution was studied by mesoscale-thermodynamics-based phase field modeling and a preliminary atomistic molecular dynamics simulation. The application prospects of this composite was studied by an economic analysis. This study suggests that the Al/Ca (20 vol. %) composite shows promise for use as overhead power transmission cables. Further studies are needed to measure the corrosion resistance, fatigue properties and energized field performance of this composite.

Lyman α photolysis of solid nitromethane (CH3NO2) and D3-nitromethane (CD3NO2)--untangling the reaction mechanisms involved in the decomposition of model energetic materials.

PubMed

Maksyutenko, Pavlo; Muzangwa, Lloyd G; Jones, Brant M; Kaiser, Ralf I

2015-03-21

Solid nitromethane (CH3NO2) along with its isotopically labelled counterpart D3-nitromethane (CD3NO2) ices were exposed to Lyman α photons to investigate the mechanism involved in the decomposition of energetic materials in the condensed phase. The chemical processes in the ices were monitored online and in situ via infrared spectroscopy complimented by temperature programmed desorption studies utilizing highly sensitive reflectron time-of-flight mass spectrometry coupled with pulsed photoionization (ReTOF-PI) at 10.49 eV. The infrared data revealed the formation of cis-methylnitrite (CH3ONO), formaldehyde (H2CO), water (H2O), carbon monoxide (CO), and carbon dioxide (CO2). Upon sublimation of the irradiated samples, three classes of higher molecular weight products, which are uniquely formed in the condensed phase, were identified via ReTOF-PI: (i) nitroso compounds [nitrosomethane (CH3NO), nitrosoethane (C2H5NO), nitrosopropane (C3H7NO)], (ii) nitrite compounds [methylnitrite (CH3ONO), ethylnitrite (C2H5ONO), propylnitrite (C3H7ONO)], and (iii) higher molecular weight molecules [CH3NONOCH3, CH3NONO2CH3, CH3OCH2NO2, ONCH2CH2NO2]. The mechanistical information obtained in the present study suggest that the decomposition of nitromethane in the condensed phase is more complex compared to the gas phase under collision-free conditions opening up not only hitherto unobserved decomposition pathways of nitromethane (hydrogen atom loss, oxygen atom loss, retro carbene insertion), but also the blocking of several initial decomposition steps due to the 'matrix cage effect'.

The Cucker-Smale Equation: Singular Communication Weight, Measure-Valued Solutions and Weak-Atomic Uniqueness

NASA Astrophysics Data System (ADS)

Mucha, Piotr B.; Peszek, Jan

2018-01-01

The Cucker-Smale flocking model belongs to a wide class of kinetic models that describe a collective motion of interacting particles that exhibit some specific tendency, e.g. to aggregate, flock or disperse. This paper examines the kinetic Cucker-Smale equation with a singular communication weight. Given a compactly supported measure as an initial datum we construct a global in time weak measure-valued solution in the space {C_{weak}(0,∞M)}. The solution is defined as a mean-field limit of the empirical distributions of particles, the dynamics of which is governed by the Cucker-Smale particle system. The studied communication weight is {ψ(s)=|s|^{-α}} with {α \\in (0,1/2)}. This range of singularity admits the sticking of characteristics/trajectories. The second result concerns the weak-atomic uniqueness property stating that a weak solution initiated by a finite sum of atoms, i.e. Dirac deltas in the form {m_i δ_{x_i} ⊗ δ_{v_i}}, preserves its atomic structure. Hence these coincide with unique solutions to the system of ODEs associated with the Cucker-Smale particle system.

Structural Evolution of Low-Molecular-Weight Poly(ethylene oxide)-block-polystyrene Diblock Copolymer Thin Film

PubMed Central

Huang, Xiaohua

2013-01-01

The structural evolution of low-molecular-weight poly(ethylene oxide)-block-polystyrene (PEO-b-PS) diblock copolymer thin film with various initial film thicknesses on silicon substrate under thermal annealing was investigated by atomic force microscopy, optical microscopy, and contact angle measurement. At film thickness below half of the interlamellar spacing of the diblock copolymer (6.2 nm), the entire silicon is covered by a polymer brush with PEO blocks anchored on the Si substrate due to the substrate-induced effect. When the film is thicker than 6.2 nm, a dense polymer brush which is equal to half of an interlamellar layer was formed on the silicon, while the excess material dewet this layer to form droplets. The droplet surface was rich with PS block and the PEO block crystallized inside the bigger droplet to form spherulite. PMID:24302862

Polyvinyl alcohol cross-linked with two aldehydes

NASA Technical Reports Server (NTRS)

Sheibley, D. W.; Rieker, L. L.; Hsu, L. C.; Manzo, M. A. (Inventor)

1982-01-01

A film forming polyvinyl alcohol resin is admixed, in aqueous solution, with a dialdehyde crosslinking agent which is capable of crosslinking the polyvinyl alcohol resin and a water soluble acid aldehyde containing a reactive aldehyde group capable of reacting with hydroxyl groups in the polyvinyl alcohol resin and an ionizable acid hydrogen atom. The dialdehyde is present in an amount sufficient to react with from 1 to 20% by weight of the theoretical amount required to react with all of the hydroxyl groups of the polyvinyl alcohol. The amount of acid aldehyde is from 1 to 50% by weight, same basis, and is sufficient to reduce the pH of the aqueous admixture to 5 or less. The admixture is then formed into a desired physical shape, such as by casting a sheet or film, and the shaped material is then heated to simultaneously dry and crosslink the article.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less

Atomic Oxygen Fluence Monitor

NASA Technical Reports Server (NTRS)

Banks, Bruce A.

2011-01-01

This innovation enables a means for actively measuring atomic oxygen fluence (accumulated atoms of atomic oxygen per area) that has impinged upon spacecraft surfaces. Telemetered data from the device provides spacecraft designers, researchers, and mission managers with real-time measurement of atomic oxygen fluence, which is useful for prediction of the durability of spacecraft materials and components. The innovation is a compact fluence measuring device that allows in-space measurement and transmittance of measured atomic oxygen fluence as a function of time based on atomic oxygen erosion yields (the erosion yield of a material is the volume of material that is oxidized per incident oxygen atom) of materials that have been measured in low Earth orbit. It has a linear electrical response to atomic oxygen fluence, and is capable of measuring high atomic oxygen fluences (up to >10(exp 22) atoms/sq cm), which are representative of multi-year low-Earth orbital missions (such as the International Space Station). The durability or remaining structural lifetime of solar arrays that consist of polymer blankets on which the solar cells are attached can be predicted if one knows the atomic oxygen fluence that the solar array blanket has been exposed to. In addition, numerous organizations that launch space experiments into low-Earth orbit want to know the accumulated atomic oxygen fluence that their materials or components have been exposed to. The device is based on the erosion yield of pyrolytic graphite. It uses two 12deg inclined wedges of graphite that are over a grit-blasted fused silica window covering a photodiode. As the wedges erode, a greater area of solar illumination reaches the photodiode. A reference photodiode is also used that receives unobstructed solar illumination and is oriented in the same direction as the pyrolytic graphite covered photodiode. The short-circuit current from the photodiodes is measured and either sent to an onboard data logger, or transmitted to a receiving station on Earth. By comparison of the short-circuit currents from the fluence-measuring photodiode and the reference photodiode, one can compute the accumulated atomic oxygen fluence arriving in the direction that the fluence monitor is pointing. The device produces a signal that is linear with atomic oxygen fluence using a material whose atomic oxygen erosion yield has been measured over a period of several years in low-Earth orbit.

Atomic-like high-harmonic generation from two-dimensional materials.

PubMed

Tancogne-Dejean, Nicolas; Rubio, Angel

2018-02-01

The generation of high-order harmonics from atomic and molecular gases enables the production of high-energy photons and ultrashort isolated pulses. Obtaining efficiently similar photon energy from solid-state systems could lead, for instance, to more compact extreme ultraviolet and soft x-ray sources. We demonstrate from ab initio simulations that it is possible to generate high-order harmonics from free-standing monolayer materials, with an energy cutoff similar to that of atomic and molecular gases. In the limit in which electrons are driven by the pump laser perpendicularly to the monolayer, they behave qualitatively the same as the electrons responsible for high-harmonic generation (HHG) in atoms, where their trajectories are described by the widely used semiclassical model, and exhibit real-space trajectories similar to those of the atomic case. Despite the similarities, the first and last steps of the well-established three-step model for atomic HHG are remarkably different in the two-dimensional materials from gases. Moreover, we show that the electron-electron interaction plays an important role in harmonic generation from monolayer materials because of strong local-field effects, which modify how the material is ionized. The recombination of the accelerated electron wave packet is also found to be modified because of the infinite extension of the material in the monolayer plane, thus leading to a more favorable wavelength scaling of the harmonic yield than in atomic HHG. Our results establish a novel and efficient way of generating high-order harmonics based on a solid-state device, with an energy cutoff and a more favorable wavelength scaling of the harmonic yield similar to those of atomic and molecular gases. Two-dimensional materials offer a unique platform where both bulk and atomic HHG can be investigated, depending on the angle of incidence. Devices based on two-dimensional materials can extend the limit of existing sources.

Monte Carlo isotopic inventory analysis for complex nuclear systems

NASA Astrophysics Data System (ADS)

Phruksarojanakun, Phiphat

Monte Carlo Inventory Simulation Engine (MCise) is a newly developed method for calculating isotopic inventory of materials. It offers the promise of modeling materials with complex processes and irradiation histories, which pose challenges for current, deterministic tools, and has strong analogies to Monte Carlo (MC) neutral particle transport. The analog method, including considerations for simple, complex and loop flows, is fully developed. In addition, six variance reduction tools provide unique capabilities of MCise to improve statistical precision of MC simulations. Forced Reaction forces an atom to undergo a desired number of reactions in a given irradiation environment. Biased Reaction Branching primarily focuses on improving statistical results of the isotopes that are produced from rare reaction pathways. Biased Source Sampling aims at increasing frequencies of sampling rare initial isotopes as the starting particles. Reaction Path Splitting increases the population by splitting the atom at each reaction point, creating one new atom for each decay or transmutation product. Delta Tracking is recommended for high-frequency pulsing to reduce the computing time. Lastly, Weight Window is introduced as a strategy to decrease large deviations of weight due to the uses of variance reduction techniques. A figure of merit is necessary to compare the efficiency of different variance reduction techniques. A number of possibilities for figure of merit are explored, two of which are robust and subsequently used. One is based on the relative error of a known target isotope (1/R 2T) and the other on the overall detection limit corrected by the relative error (1/DkR 2T). An automated Adaptive Variance-reduction Adjustment (AVA) tool is developed to iteratively define parameters for some variance reduction techniques in a problem with a target isotope. Sample problems demonstrate that AVA improves both precision and accuracy of a target result in an efficient manner. Potential applications of MCise include molten salt fueled reactors and liquid breeders in fusion blankets. As an example, the inventory analysis of a liquid actinide fuel in the In-Zinerator, a sub-critical power reactor driven by a fusion source, is examined. The result reassures MCise as a reliable tool for inventory analysis of complex nuclear systems.

Strain-Tuning Atomic Substitution in Two-Dimensional Atomic Crystals.

PubMed

Li, Honglai; Liu, Hongjun; Zhou, Linwei; Wu, Xueping; Pan, Yuhao; Ji, Wei; Zheng, Biyuan; Zhang, Qinglin; Zhuang, Xiujuan; Zhu, Xiaoli; Wang, Xiao; Duan, Xiangfeng; Pan, Anlian

2018-05-22

Atomic substitution offers an important route to achieve compositionally engineered two-dimensional nanostructures and their heterostructures. Despite the recent research progress, the fundamental understanding of the reaction mechanism has still remained unclear. Here, we reveal the atomic substitution mechanism of two-dimensional atomic layered materials. We found that the atomic substitution process depends on the varying lattice constant (strain) in monolayer crystals, dominated by two strain-tuning (self-promoted and self-limited) mechanisms using density functional theory calculations. These mechanisms were experimentally confirmed by the controllable realization of a graded substitution ratio in the monolayers by controlling the substitution temperature and time and further theoretically verified by kinetic Monte Carlo simulations. The strain-tuning atomic substitution processes are of general importance to other two-dimensional layered materials, which offers an interesting route for tailoring electronic and optical properties of these materials.

Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations.

PubMed

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F; Spoerke, Erik David; Pan, Wei; Zuo, Jian Min

2016-04-13

Atomic-scale phenomena fundamentally influence materials form and function that makes the ability to locally probe and study these processes critical to advancing our understanding and development of materials. Atomic-scale chemical imaging by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) is a powerful approach to investigate solid crystal structures. Inefficient X-ray emission and collection, however, require long acquisition times (typically hundreds of seconds), making the technique incompatible with electron-beam sensitive materials and study of dynamic material phenomena. Here we describe an atomic-scale STEM-EDS chemical imaging technique that decreases the acquisition time to as little as one second, a reduction of more than 100 times. We demonstrate this new approach using LaAlO3 single crystal and study dynamic phase transformation in beam-sensitive Li[Li0.2Ni0.2Mn0.6]O2 (LNMO) lithium ion battery cathode material. By capturing a series of time-lapsed chemical maps, we show for the first time clear atomic-scale evidence of preferred Ni-mobility in LNMO transformation, revealing new kinetic mechanisms. These examples highlight the potential of this approach toward temporal, atomic-scale mapping of crystal structure and chemistry for investigating dynamic material phenomena.

Molecular Dynamics Study of Poly And Monocrystalline CdS/CdTe Junctions and Cu Doped Znte Back Contacts for Solar Cell Applications

NASA Astrophysics Data System (ADS)

Aguirre, Rodolfo, II

Cadmium telluride (CdTe) is a material used to make solar cells because it absorbs the sunlight very efficiently and converts it into electricity. However, CdTe modules suffer from degradation of 1% over a period of 1 year. Improvements on the efficiency and stability can be achieved by designing better materials at the atomic scale. Experimental techniques to study materials at the atomic scale, such as Atomic Probe Tomography (APT) and Transmission Electron Microscope (TEM) are expensive and time consuming. On the other hand, Molecular Dynamics (MD) offers an inexpensive and fast computer simulation technique to study the growth evolution of materials with atomic scale resolution. In combination with advance characterization software, MD simulations provide atomistic visualization, defect analysis, structure maps, 3-D atomistic view, and composition profiles. MD simulations help to design better quality materials by predicting material behavior at the atomic scale. In this work, a new MD method to study several phenomena such as polycrystalline growth of CdTe-based materials, interdiffusion of atoms at interfaces, and deposition of a copper doped ZnTe back contact is established. Results are compared with experimental data found in the literature and experiments performed and shown to be in remarkably good agreement.

Simulation of the low earth orbital atomic oxygen interaction with materials by means of an oxygen ion beam

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Rutledge, Sharon K.; Paulsen, Phillip E.; Steuber, Thomas J.

1989-01-01

Atomic oxygen is the predominant species in low-Earth orbit between the altitudes of 180 and 650 km. These highly reactive atoms are a result of photodissociation of diatomic oxygen molecules from solar photons having a wavelength less than or equal to 2430A. Spacecraft in low-Earth orbit collide with atomic oxygen in the 3P ground state at impact energies of approximately 4.2 to 4.5 eV. As a consequence, organic materials previously used for high altitude geosynchronous spacecraft are severely oxidized in the low-Earth orbital environment. The evaluation of materials durability to atomic oxygen requires ground simulation of this environment to cost effectively screen materials for durability. Directed broad beam oxygen sources are necessary to evaluate potential spacecraft materials performance before and after exposure to the simulated low-Earth orbital environment. This paper presents a description of a low energy, broad oxygen ion beam source used to simulate the low-Earth orbital atomic oxygen environment. The results of materials interaction with this beam and comparison with actual in-space tests of the same meterials will be discussed. Resulting surface morphologies appear to closely replicate those observed in space tests.

Flight- and ground-test correlation study of BMDO SDS materials: Phase 1 report

NASA Technical Reports Server (NTRS)

Chung, Shirley Y.; Brinza, David E.; Minton, Timothy K.; Stiegman, Albert E.; Kenny, James T.; Liang, Ranty H.

1993-01-01

The NASA Evaluation of Oxygen Interactions with Materials-3 (EOIM-3) experiment served as a test bed for a variety of materials that are candidates for Ballistic Missile Defense Organization (BMDO) space assets. The materials evaluated on this flight experiment were provided by BMDO contractors and technology laboratories. A parallel ground exposure evaluation was conducted using the FAST atomic-oxygen simulation facility at Physical Sciences, Inc. The EOIM-3 materials were exposed to an atomic oxygen fluence of approximately 2.3 x 10(exp 2) atoms/sq. cm. The ground-exposed materials' fluence of 2.0 - 2.5 x 10(exp 2) atoms/sq. cm permits direct comparison of ground-exposed materials' performance with that of the flight-exposed specimens. The results from the flight test conducted aboard STS-46 and the correlative ground exposure are presented in this publication.

Evidence for the existence of Pd-107 in the early solar system. [from Santa Clara iron meteorite data

NASA Technical Reports Server (NTRS)

Kelly, W. R.; Wasserburg, G. J.

1978-01-01

Measurements of the concentration and isotopic composition of Ag and Pd in the Santa Clara iron meteorite suggest that in situ decay of Pd-107 occurred in the meteorite or its parent body. The initial solar ratio of Pd-107/Pd-110 is estimated from the observed ratio of excess Ag-107/Pd-110, and the value of the Pd ratio is incompatible with an interval of approximately 100,000,000 years between the end of nucleosynthesis and the formation of planetary objects but is compatible with a later injection of material. The inferred existence of Pd-107 and Al-26 indicates that the late injection included freshly synthesized material of both intermediate and low atomic weight on a similar time scale. The significance of the Pd-107/Ag-107 chronometer is considered.

Sensors, nano-electronics and photonics for the Army of 2030 and beyond

NASA Astrophysics Data System (ADS)

Perconti, Philip; Alberts, W. C. K.; Bajaj, Jagmohan; Schuster, Jonathan; Reed, Meredith

2016-02-01

The US Army's future operating concept will rely heavily on sensors, nano-electronics and photonics technologies to rapidly develop situational understanding in challenging and complex environments. Recent technology breakthroughs in integrated 3D multiscale semiconductor modeling (from atoms-to-sensors), combined with ARL's Open Campus business model for collaborative research provide a unique opportunity to accelerate the adoption of new technology for reduced size, weight, power, and cost of Army equipment. This paper presents recent research efforts on multi-scale modeling at the US Army Research Laboratory (ARL) and proposes the establishment of a modeling consortium or center for semiconductor materials modeling. ARL's proposed Center for Semiconductor Materials Modeling brings together government, academia, and industry in a collaborative fashion to continuously push semiconductor research forward for the mutual benefit of all Army partners.

Thermoplastic polyurethanes with controlled morphology based on methylenediphenyldiisocyanate/isosorbide/butanediol hard segments: Thermoplastic polyurethanes with controlled morphology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Javni, Ivan; Bilić, Olivera; Bilić, Nikola

2015-06-30

Isosorbide, a cyclic, rigid and renewable diol was used as a chain extender in two series of thermoplastic polyurethanes. Isosorbide was used in combination with butane diol or alone to examine the effects on polyurethane morphology. Two series of materials were prepared -one with dispersed hard domains in the matrix of polytetramethylene ether glycol soft segments of molecular weight 1400 (at 70% soft segment concentration-SSC) and the other with co-continuous soft and hard phases at 50% SSC. Morphology of materials was studied by optical and atomic force microscopy, as well as with ultra small angle x-ray scattering (USAXS). The radiusmore » of spherical hard domains, correlation lengths, mean separation distances and boundary layer thickness were measured as a function of isosorbide content.« less

Atomic research

NASA Technical Reports Server (NTRS)

Hadaway, James B.; Connatser, Robert; Cothren, Bobby; Johnson, R. B.

1993-01-01

Work performed by the University of Alabama in Huntsville's (UAH) Center for Applied Optics (CAO) entitled Atomic Research is documented. Atomic oxygen (AO) effects on materials have long been a critical concern in designing spacecraft to withstand exposure to the Low Earth Orbit (LEO) environment. The objective of this research effort was to provide technical expertise in the design of instrumentation and experimental techniques for analyzing materials exposed to atomic oxygen in accelerated testing at NASA/MSFC. Such testing was required to answer fundamental questions concerning Space Station Freedom (SSF) candidate materials and materials exposed to atomic oxygen aboard the Long-Duration Exposure Facility (LDEF). The primary UAH task was to provide technical design, review, and analysis to MSFC in the development of a state-of-the-art 5eV atomic oxygen beam facility required to simulate the RAM-induced low earth orbit (LEO) AO environment. This development was to be accomplished primarily at NASA/MSFC. In support of this task, contamination effects and ultraviolet (UV) simulation testing was also to be carried out using NASA/MSFC facilities. Any materials analysis of LDEF samples was to be accomplished at UAH.

Atomic layer deposition on polymer fibers and fabrics for multifunctional and electronic textiles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brozena, Alexandra H.; Oldham, Christopher J.; Parsons, Gregory N., E-mail: gnp@ncsu.edu

Textile materials, including woven cotton, polymer knit fabrics, and synthetic nonwoven fiber mats, are being explored as low-cost, flexible, and light-weight platforms for wearable electronic sensing, communication, energy generation, and storage. The natural porosity and high surface area in textiles is also useful for new applications in environmental protection, chemical decontamination, pharmaceutical and chemical manufacturing, catalytic support, tissue regeneration, and others. These applications raise opportunities for new chemistries, chemical processes, biological coupling, and nanodevice systems that can readily combine with textile manufacturing to create new “multifunctional” fabrics. Atomic layer deposition (ALD) has a unique ability to form highly uniform andmore » conformal thin films at low processing temperature on nonuniform high aspect ratio surfaces. Recent research shows how ALD can coat, modify, and otherwise improve polymer fibers and textiles by incorporating new materials for viable electronic and other multifunctional capabilities. This article provides a current overview of the understanding of ALD coating and modification of textiles, including current capabilities and outstanding problems, with the goal of providing a starting point for further research and advances in this field. After a brief introduction to textile materials and current textile treatment methods, the authors discuss unique properties of ALD-coated textiles, followed by a review of recent electronic and multifunctional textiles that use ALD coatings either as direct functional components or as critical nucleation layers for active materials integration. The article concludes with possible future directions for ALD on textiles, including the challenges in materials, manufacturing, and manufacturing integration that must be overcome for ALD to reach its full potential in electronic and other emerging multifunctional textile systems.« less

Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries.

PubMed

Razavi, Razieh; Abrishamifar, Seyyed Milad; Rajaei, Gholamreza Ebrahimzadeh; Kahkha, Mohammad Reza Rezaei; Najafi, Meysam

2018-02-21

The applicability of C 44 , B 22 N 22 , Ge 44 , and Al 22 P 22 nanocages, as well as variants of those nanocages with an adsorbed halogen atom, as high-performance anode materials in Li-ion, Na-ion, and K-ion batteries was investigated theoretically via density functional theory. The results obtained indicate that, among the nanocages with no adsorbed halogen atom, Al 22 P 22 would be the best candidate for a novel anode material for use in metal-ion batteries. Calculations also suggest that K-ion batteries which utilize these nanocages as anode materials would give better performance and would yield higher cell voltages than the corresponding Li-ion and Na-ion batteries with nanocage-based anodes. Also, the results for the nanocages with an adsorbed halogen atom imply that employing them as anode materials would lead to higher cell voltages and better metal-ion battery performance than if the nanocages with no adsorbed halogen atom were to be used as anode materials instead. Results further implied that nanocages with an adsorbed F atom would give higher cell voltages and better battery performance than nanocages with an adsorbed Cl or Br atom. We were ultimately able to conclude that a K-ion battery that utilized Al 21 P 22 with an adsorbed F atom as its anode material would afford the best metal-ion battery performance; we therefore propose this as a novel highly efficient metal-ion battery. Graphical abstract The results of a theoretical investigation indicated that Al 22 P 22 is a better candidate for a high-performance anode material in metal-ion batteries than Ge 44 is. Calculations also showed that K-ion batteries with nanocage-based anodes would produce higher cell voltages and perform better than the equivalent Li-ion and Na-ion batteries with nanocage-based anodes, and that anodes based on nanocages with an adsorbed F atom would perform better than anodes based on nanocages with an adsorbed Cl or Br atom.

Southern Regional Center for Lightweight Innovative Design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Paul T.

The Southern Regional Center for Lightweight Innovative Design (SRCLID) has developed an experimentally validated cradle-to-grave modeling and simulation effort to optimize automotive components in order to decrease weight and cost, yet increase performance and safety in crash scenarios. In summary, the three major objectives of this project are accomplished: To develop experimentally validated cradle-to-grave modeling and simulation tools to optimize automotive and truck components for lightweighting materials (aluminum, steel, and Mg alloys and polymer-based composites) with consideration of uncertainty to decrease weight and cost, yet increase the performance and safety in impact scenarios; To develop multiscale computational models that quantifymore » microstructure-property relations by evaluating various length scales, from the atomic through component levels, for each step of the manufacturing process for vehicles; and To develop an integrated K-12 educational program to educate students on lightweighting designs and impact scenarios. In this final report, we divided the content into two parts: the first part contains the development of building blocks for the project, including materials and process models, process-structure-property (PSP) relationship, and experimental validation capabilities; the second part presents the demonstration task for Mg front-end work associated with USAMP projects.« less

The effect of Low Earth Orbit exposure on some experimental fluorine and silicon-containing polymers

NASA Technical Reports Server (NTRS)

Connell, John W.; Young, Philip R.; Kalil, Carol G.; Chang, Alice C.; Siochi, Emilie J.

1994-01-01

Several experimental fluorine and silicon-containing polymers in film form were exposed to low Earth orbit (LEO) on a Space Shuttle flight experiment (STS-46, Evaluation of Oxygen Interaction with Materials, EOIM-3). The environmental parameters of primary concern were atomic oxygen (AO) and ultraviolet (UV) radiation. The materials were exposed to 2.3 plus or minus 0.1 x 10(exp 20) oxygen atoms/sq cm and 30.6 UV sun hours during the flight. In some cases, the samples were exposed at ambient, 120 C and 200 C. The effects of exposure on these materials were assessed utilizing a variety of characterization techniques including optical, scanning electron (SEM) and scanning tunneling (STM) microscopy, UV-visible (UV-VIS) transmission, diffuse reflectance infrared (DR-FTIR), x-ray photoelectron (XPS) spectroscopy, and in a few cases, gel permeation chromatography (GPC). In addition, weight losses of the films, presumably due to AO erosion, were measured. The fluorine-containing polymers exhibited significant AO erosion and exposed films were diffuse or 'frosted' in appearance and consequently displayed dramatic reductions in optical transmission. The silicon-containing films exhibited minimum AO erosion and the optical transmission of exposed films was essentially unchanged. The silicon near the exposed surface in the films was converted to silicate/silicon oxide upon AO exposure which subsequently provided protection for the underlying material. The silicon-containing epoxies are potentially useful as AO resistant coatings and matrix resins as they are readily processed into carbon fiber reinforced composites and cured via electron radiation.

Performance and properties of atomic oxygen protective coatings for polymeric materials

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Lamoreaux, Cynthia

1992-01-01

Such large LEO spacecraft as the Space Station Freedom will encounter high atomic oxygen fluences which entail the use of protective coatings for their polymeric structural materials. Such coatings have demonstrated polymer mass losses due to oxidation that are much smaller than those of unprotected materials. Attention is here given to protective and/or electrically conductive coatings of SiO(x), Ge, and indium-tin oxide which have been exposed to atomic oxygen in order to ascertain mass loss, electrical conductivity, and optical property dependence on atomic oxygen exposure.

Investigation of diamond-like carbon samples as a charge state conversion surface for neutral atom imaging detectors in space applications

NASA Astrophysics Data System (ADS)

Brigitte Neuland, Maike; Riedo, Andreas; Scheer, Jürgen; Wurz, Peter

2014-05-01

The detection of energetic neutral atoms is a substantial requirement on every space mission mapping particle populations of a planetary magnetosphere or plasma of the interstellar medium. For imaging neutrals, these first have to be ionized. Regarding the constraints of weight, volume and power consumption, the technique of surface ionization complies with all specifications of a space mission. Particularly low energy neutral atoms, which cannot be ionized by passing through a foil, are ionized by scattering on a charge state conversion surface. Since more than 30 years intense research work is done to find suitable materials for use as charge state conversion surfaces. Crucial parameters are the ionisation efficiency of the surface material and the scattering properties. Against all expectations, insulators showed very promising characteristics for serving as conversion surfaces. Particularly diamond-like carbon was proven advantageously: While efficiently ionising incoming neutral atoms, diamond stands out by its durability and chemical inertness. In the IBEX-Lo sensor, a diamond-like carbon surface is used for ionisation of neutral atoms. Energy resolved maps of neutral atoms from the IBEX mission revealed phenomena of the interaction between heliosphere and local interstellar medium (LISM) that demand for new theory and explanations [McComas et al., 2011]. Building on the successes of the IBEX mission, a follow up mission concept to further explore the boundaries of the heliosphere already exists. The Interstellar MApping Probe (IMAP) is planned to map neutral atoms in a larger energy range and with a distinct better angular resolution and sensitivity than IBEX [McComas et al.]. The aspired performance of the IMAP sensors implies also for charge state conversion surfaces with improved characteristics. We investigated samples of diamond-like carbon, manufactured by the chemical vapour and pulsed laser deposition method, regarding their ionisation efficiency, scattering and reflexion properties. Experiments were carried out at the ILENA facility [Wahlström et al., 2013] with hydrogen and oxygen atoms, which are the species of main interest in magnetospheric research [Wurz et al., 1997]. Results of very narrow scattering cones and sufficient ionisation efficiency show that diamond-like carbon still is the preferred material for charge state conversion surfaces. But our measurements show that new surface technologies offer improved diamond conversion surfaces with different properties and hence the possibility for improvement of the performance of neutral atom imaging instruments. References: [McComas et al., 2011] D.J. McComas, H.O. Funsten, S.A. Fuselier, W.S. Lewis, E. Möbius and N.A. Schwadron, IBEX observations of Heliospheric energetic neutral atoms: Current understanding and future directions, Geophys. Res. Lett. 38, L18101, 2011 [McComas et al.] Interstellar Mapping Probe (IMAP) mission concept: Illuminating the dark boundaries at the edge of our solar system, decadal survey white paper [Wahlström et al., 2013] P. Wahlström, J.A. Scheer, A. Riedo, P. Wurz and M. Wieser, J. Spacecr. Rockets 50 (2), 402-410 [Wurz et al., 1997] P. Wurz, R. Schletti, M.R. Aellig, Hydrogen and oxygen negative ion production by surface ionization using diamond surfaces, Surf. Sci. 373, 56-66, 1997.

Machine Learning of ABO3 Crystalline Compounds

NASA Astrophysics Data System (ADS)

Gubernatis, J. E.; Balachandran, P. V.; Lookman, T.

We apply two advanced machine learning methods to a database of experimentally known ABO3 materials to predict the existence of possible new perovskite materials and possible new cubic perovskites. Constructing a list of 625 possible new materials from charge conserving combinations of A and B atoms in known stable ABO3 materials, we predict about 440 new perovskites. These new perovskites are predicted most likely to occur when the A and B atoms are a lanthanide or actinide, when the A atom is a alkali, alkali earth, or late transition metal, and a when the B atom is a p-block atom. These results are in basic agreement with the recent materials discovery by substitution analysis of Hautier et al. who data-mined the entire ICSD data base to develop the probability that in any crystal structure atom X could be substituted for by atom Y. The results of our analysis has several points of disagreement with a recent high throughput DFT study of ABO3 crystalline compounds by Emery et al. who predict few, if any, new perovskites whose A and B atoms are both a lanthanide. They also predict far more new cubic perovskites than we do: We predict few, if any, with a high degree of probability. This work was supported by the LDRD DR program of the Los Alamos National Laboratory.

Southern Regional Center for Lightweight Innovative Design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horstemeyer, Mark F.; Wang, Paul

The three major objectives of this Phase III project are: To develop experimentally validated cradle-to-grave modeling and simulation tools to optimize automotive and truck components for lightweighting materials (aluminum, steel, and Mg alloys and polymer-based composites) with consideration of uncertainty to decrease weight and cost, yet increase the performance and safety in impact scenarios; To develop multiscale computational models that quantify microstructure-property relations by evaluating various length scales, from the atomic through component levels, for each step of the manufacturing process for vehicles; and To develop an integrated K-12 educational program to educate students on lightweighting designs and impact scenarios.

Two-dimensional transition metal dichalcogenides as atomically thin semiconductors: opportunities and challenges.

PubMed

Duan, Xidong; Wang, Chen; Pan, Anlian; Yu, Ruqin; Duan, Xiangfeng

2015-12-21

The discovery of graphene has ignited intensive interest in two-dimensional layered materials (2DLMs). These 2DLMs represent a new class of nearly ideal 2D material systems for exploring fundamental chemistry and physics at the limit of single-atom thickness, and have the potential to open up totally new technological opportunities beyond the reach of existing materials. In general, there are a wide range of 2DLMs in which the atomic layers are weakly bonded together by van der Waals interactions and can be isolated into single or few-layer nanosheets. The van der Waals interactions between neighboring atomic layers could allow much more flexible integration of distinct materials to nearly arbitrarily combine and control different properties at the atomic scale. The transition metal dichalcogenides (TMDs) (e.g., MoS2, WSe2) represent a large family of layered materials, many of which exhibit tunable band gaps that can undergo a transition from an indirect band gap in bulk crystals to a direct band gap in monolayer nanosheets. These 2D-TMDs have thus emerged as an exciting class of atomically thin semiconductors for a new generation of electronic and optoelectronic devices. Recent studies have shown exciting potential of these atomically thin semiconductors, including the demonstration of atomically thin transistors, a new design of vertical transistors, as well as new types of optoelectronic devices such as tunable photovoltaic devices and light emitting devices. In parallel, there have also been considerable efforts in developing diverse synthetic approaches for the rational growth of various forms of 2D materials with precisely controlled chemical composition, physical dimension, and heterostructure interface. Here we review the recent efforts, progress, opportunities and challenges in exploring the layered TMDs as a new class of atomically thin semiconductors.

A technique for synergistic atomic oxygen and vacuum ultraviolet radiation durability evaluation of materials for use in LEO

NASA Technical Reports Server (NTRS)

Rutledge, Sharon K.; Banks, Bruce A.

1996-01-01

Material erosion data collected during flight experiments such as the Environmental Oxygen Interaction with Materials (EOIM)-3 and the Long Duration Exposure Facility (LDEF) have raised questions as to the sensitivity of material erosion to levels of atomic oxygen exposure and vacuum ultraviolet (VUV) radiation. The erosion sensitivity of some materials such as FEP Teflon used as a thermal control material on satellites in low Earth orbit (LEO), is particularly important but difficult to determine. This is in large part due to the inability to hold all but one exposure parameter constant during a flight experiment. This is also difficult to perform in a ground based facility, because often the variation of the level of atomic oxygen or VUV radiation also results in a change in the level of the other parameter. A facility has been developed which allows each parameter to be changed almost independently and offer broad area exposure. The resulting samples can be made large enough for mechanical testing. The facility uses an electron cyclotron resonance plasma source to provide the atomic oxygen. A series of glass plates is used to focus the atomic oxygen while filtering the VUV radiation from the plasma source. After filtering, atomic oxygen effective flux levels can still be measured which are as high as 7 x 10(exp 15) atoms/cm(exp 2)-sec which is adequate for accelerated testing. VUV radiation levels after filtering can be as low as 0.3 suns. Additional VUV suns can be added with the use of deuterium lamps which allow the VUV level to be changed while keeping the flux of atomic oxygen constant. This paper discusses the facility, and results from exposure of Kapton and FEP at pre-determined atomic oxygen flux and VUV sun levels.

Tutorial on Atomic Oxygen Effects and Contamination

NASA Technical Reports Server (NTRS)

Miller, Sharon K.

2017-01-01

Atomic oxygen is the most predominant specie in low Earth orbit (LEO) and is contained in the upper atmosphere of many other planetary bodies. Formed by photo-dissociation of molecular oxygen, it is highly reactive and energetic enough to break chemical bonds on the surface of many materials and react with them to form either stable or volatile oxides. The extent of the damage for spacecraft depends a lot on how much atomic oxygen arrives at the surface, the energy of the atoms, and the reactivity of the material that is exposed to it. Oxide formation can result in shrinkage, cracking, or erosion which can also result in changes in optical, thermal, or mechanical properties of the materials exposed. The extent of the reaction can be affected by mechanical loading, temperature, and other environmental components such as ultraviolet radiation or charged particles. Atomic oxygen generally causes a surface reaction, but it can scatter under coatings and into crevices causing oxidation much farther into a spacecraft surface or structure than would be expected. Contamination can also affect system performance. Contamination is generally caused by arrival of volatile species that condense on spacecraft surfaces. The volatiles are typically a result of outgassing of materials that are on the spacecraft. Once the volatiles are condensed on a surface, they can then be fixed on the surface by ultraviolet radiation andor atomic oxygen reaction to form stable surface contaminants that can change optical and thermal properties of materials in power systems, thermal systems, and sensors. This tutorial discusses atomic oxygen erosion and contaminate formation, and the effect they have on typical spacecraft materials. Scattering of atomic oxygen, some effects of combined environments and examples of effects of atomic oxygen and contamination on spacecraft systems and components will also be presented.

Phenylethynyl-butyltellurium inhibits the sulfhydryl enzyme Na+, K+ -ATPase: an effect dependent on the tellurium atom.

PubMed

Quines, Caroline B; Rosa, Suzan G; Neto, José S S; Zeni, Gilson; Nogueira, Cristina W

2013-11-01

Organotellurium compounds are known for their toxicological effects. These effects may be associated with the chemical structure of these compounds and the oxidation state of the tellurium atom. In this context, 2-phenylethynyl-butyltellurium (PEBT) inhibits the activity of the sulfhydryl enzyme, δ-aminolevulinate dehydratase. The present study investigated on the importance of the tellurium atom in the PEBT ability to oxidize mono- and dithiols of low molecular weight and sulfhydryl enzymes in vitro. PEBT, at high micromolar concentrations, oxidized dithiothreitol (DTT) and inhibited cerebral Na(+), K(+)-ATPase activity, but did not alter the lactate dehydrogenase activity. The inhibition of cerebral Na(+), K(+)-ATPase activity was completely restored by DTT. By contrast, 2-phenylethynyl-butyl, a molecule without the tellurium atom, neither oxidized DTT nor altered the Na(+), K(+)-ATPase activity. In conclusion, the tellurium atom of PEBT is crucial for the catalytic oxidation of sulfhydryl groups from thiols of low molecular weight and from Na(+), K(+)-ATPase.

BMDO materials testing in the EOIM-3 experiment

NASA Technical Reports Server (NTRS)

Chung, Shirley Y.; Brinza, David E.; Minton, Timothy K.; Liang, Ranty H.

1995-01-01

The NASA Evaluation of Oxygen Interactions with Materials-3 (EOIM-3) experiment served as a testbed for a variety of materials that are candidates for Ballistic Missile Defense Organization (BMDO) space assets. The materials evaluated on this flight experiment were provided by BMDO contractors and technology laboratories. A parallel ground-based exposure evaluation was conducted using the Fast Atom Sample Tester (FAST) atomic-oxygen simulation facility at Physical Sciences, Inc. The EOIM-3 flight materials were exposed to an atomic oxygen fluence of approximately 2.3 x 10(exp 20) atoms/sq cm. The ground-based exposure fluence of 2.0 - 2.5 x 10(exp 20) atoms/sq cm permits direct comparison with that of the flight-exposed specimens. The results from the flight test conducted aboard STS-46 and the correlative ground-based exposure are summarized here. A more detailed correlation study is presented in the JPL Publication 93-31 entitled 'Flight-and Ground-Test Correlation Study of BMDO SDS Materials: Phase 1 Report'. In general, the majority of the materials survived the AO environment with their performance tolerances maintained for the duration of the exposure. Optical materials, baffles, and coatings performed extremely well as did most of the thermal coatings and tribological materials. A few of the candidate radiator, threat shielding, and structural materials showed significant degradation. Many of the coatings designed to protect against AO erosion of sensitive materials performed this function well.

Atomic oxygen interaction at defect sights in protective coatings on polymers flown on LDEF

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Degroh, Kim K.; Auer, Bruce M.; Gebauer, Linda; Lamoreaux, Cynthia

1993-01-01

Although the Long Duration Exposure Facility (LDEF) has exposed materials with a fixed orientation relative to the ambient low-Earth-orbital environment, arrival of atomic oxygen is angularly distributed as a result of the atomic oxygen's high temperature Maxwellian velocity distribution and the LDEF's orbital inclination. Thus, atomic oxygen entering defects in protective coatings on polymeric surfaces can cause wider undercut cavities than the size of the defect in the protective coating. Because only a small fraction of atomic oxygen reacts upon first impact with most polymeric materials, secondary reactions with lower energy thermally accommodated atomic oxygen can occur. The secondary reactions of scattered and/or thermally accommodated atomic oxygen also contribute to widening the undercut cavity beneath the protective coating defect. As the undercut cavity enlarges, exposing more polymer, the probability of atomic oxygen reacting with underlying polymeric material increases because of multiple opportunities for reaction. Thus, the effective atomic oxygen erosion yield for atoms entering defects increases above that of the unprotected material. Based on the results of analytical modeling and computational modeling, aluminized Kapton multilayer insulation exposed to atomic oxygen on row 9 lost the entire externally exposed layer of polyimide Kapton, yet based on the results of this investigation, the bottom surface aluminum film must have remained in place, but crazed. Atomic oxygen undercutting at defect sites in protective coatings on graphite epoxy composites indicates that between 40 to 100 percent of the atomic oxygen thermally accommodates upon impact, and that the reaction probability of thermally accommodated atomic oxygen may range from 7.7 x 10(exp -6) to 2.1 x 10(exp -3), depending upon the degree of thermal accommodation upon each impact.

Designing Spacecraft and Mission Operations Plans to Meet Flight Crew Radiation Dose Requirements: Why is this an "Epic Challenge" for Long-Term Manned Interplanetary Flight

NASA Technical Reports Server (NTRS)

Koontz, Steven

2012-01-01

Outline of presentation: (1) Radiation Shielding Concepts and Performance - Galactic Cosmic Rays (GCRs) (1a) Some general considerations (1b) Galactic Cosmic Rays (2)GCR Shielding I: What material should I use and how much do I need? (2a) GCR shielding materials design and verification (2b) Spacecraft materials point dose cosmic ray shielding performance - hydrogen content and atomic number (2c) Accelerator point dose materials testing (2d) Material ranking and selection guidelines (2e) Development directions and return on investment (point dose metric) (2f) Secondary particle showers in the human body (2f-1) limited return of investment for low-Z, high-hydrogen content materials (3) GCR shielding II: How much will it cost? (3a) Spacecraft design and verification for mission radiation dose to the crew (3b) Habitat volume, shielding areal density, total weight, and launch cost for two habitat volumes (3c) It's All about the Money - Historical NASA budgets and budget limits (4) So, what can I do about all this? (4a) Program Design Architecture Trade Space (4b) The Vehicle Design Trade Space (4c) Some Near Term Recommendations

Identifying Atomic Scale Structure in Undoped/Doped Semicrystalline P3HT Using Inelastic Neutron Scattering

DOE PAGES

Harrelson, Thomas F.; Cheng, Yongqiang Q.; Li, Jun; ...

2017-03-07

The greatest advantage of organic materials is the ability to synthetically tune desired properties. However, structural heterogeneity often obfuscates the relationship between chemical structure and functional properties. Inelastic neutron scattering (INS) is sensitive to both local structure and chemical environment and provides atomic level details that cannot be obtained through other spectroscopic or diffraction methods. INS data are composed of a density of vibrational states with no selection rules, which means that every structural configuration is equally weighted in the spectrum. This allows the INS spectrum to be quantitatively decomposed into different structural motifs. Here in this paper we presentmore » INS measurements of the semiconducting polymer P3HT doped with F4TCNQ supported by density functional theory calculations to identify two dominant families of undoped crystalline structures and one dominant doped structural motif, in spite of considerable heterogeneity. The differences between the undoped and doped structures indicate that P3HT side chains flatten upon doping.« less

The hybrid lattice of KxFe2−ySe2: where superconductivity and magnetism coexist

PubMed Central

Louca, Despina; Park, Keeseong; Li, Bing; Neuefeind, Joerg; Yan, Jiaqiang

2013-01-01

Much remains unknown of the microscopic origin of superconductivity in atomically disordered systems of amorphous alloys or in crystals riddled with defects. A manifestation of this conundrum is envisaged in the highly defective superconductor of KxFe2−ySe2. How can superconductivity survive under such crude conditions that call for strong electron localization? Here, we show that the Fe sublattice is locally distorted and accommodates two kinds of Fe valence environments giving rise to a bimodal bond-distribution, with short and long Fe bonds. The bimodal bonds are present even as the system becomes superconducting in the presence of antiferromagnetism, with the weight continuously shifting from the short to the long with increasing K content. Such a hybrid state is most likely found in cuprates as well while our results point to the importance of the local atomic symmetry by which exchange interactions between local moments materialize. PMID:23782976

The hybrid lattice of K xFe 2-ySe 2: where superconductivity and magnetism coexist

DOE PAGES

Yang, Junjie; Duan, Chunruo; Huang, Qing; ...

2013-01-01

Much remains unknown of the microscopic origin of superconductivity in atomically disordered systems of amorphous alloys or in crystals riddled with defects. A manifestation of this conundrum is envisaged in the highly defective superconductor of K xFe 2-ySe 2. How can superconductivity survive under such crude conditions that call for strong electron localization? Here, we show that the Fe sublattice is locally distorted and accommodates two kinds of Fe valence environments giving rise to a bimodal bond-distribution, with short and long Fe bonds. The bimodal bonds are present even as the system becomes superconducting in the presence of antiferromagnetism, withmore » the weight continuously shifting from the short to the long with increasing K content. Such a hybrid state is most likely found in cuprates as well while our results point to the importance of the local atomic symmetry by which exchange interactions between local moments materialize.« less

Imaging powders with the atomic force microscope: from biominerals to commercial materials.

PubMed

Friedbacher, G; Hansma, P K; Ramli, E; Stucky, G D

1991-09-13

Atomically resolved images of pressed powder samples have been obtained with the atomic force microscope (AFM). The technique was successful in resolving the particle, domain, and atomic structure of pismo clam (Tivela stultorum) and sea urchin (Strongylocentrotus purpuratus) shells and of commercially available calcium carbonate (CaCO(3)) and strontium carbonate (SrCO(3)) powders. Grinding and subsequent pressing of the shells did not destroy the microstructure of these materials. The atomic-resolution imaging capabilities of AFM can be applied to polycrystalline samples by means of pressing powders with a grain size as small as 50 micrometers. These results illustrate that the AFM is a promising tool for material science and the study of biomineralization.

Novel oxygen atom source for material degradation studies

NASA Technical Reports Server (NTRS)

Krech, R. H.; Caledonia, G. E.

1988-01-01

Physical Sciences Inc. (PSI) has developed a high flux pulsed source of energetic (8 km/s) atomic oxygen to bombard specimens in experiments on the aging and degradation of materials in a low earth orbit environment. The proof-of-concept of the PSI approach was demonstrated in a Phase 1 effort. In Phase 2 a large O-atom testing device (FAST-2) has been developed and characterized. Quantitative erosion testing of materials, components, and even small assemblies (such as solar cell arrays) can be performed with this source to determine which materials and/or components are most vulnerable to atomic oxygen degradation. The source is conservatively rated to irradiate a 100 sq cm area sample at greater than 10(exp 17) atoms/s, at a 10 Hz pulse rate. Samples can be exposed to an atomic oxygen fluence equivalent to the on-orbit ram direction exposure levels incident on Shuttle surfaces at 250 km during a week-long mission in a few hours.

Low Earth Orbital Atomic Oxygen Interactions With Spacecraft Materials

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; deGroh, Kim K.; Miller, Sharon K.

2004-01-01

Atomic oxygen, formed in Earth s thermosphere, interacts readily with many materials on spacecraft flying in low Earth orbit (LEO). All hydrocarbon based polymers and graphite are easily oxidized upon the impact of approx.4.5 eV atomic oxygen as the spacecraft ram into the residual atmosphere. The resulting interactions can change the morphology and reduce the thickness of these materials. Directed atomic oxygen erosion will result in the development of textured surfaces on all materials with volatile oxidation products. Examples from space flight samples are provided. As a result of the erosive properties of atomic oxygen on polymers and composites, protective coatings have been developed and are used to increase the functional life of polymer films and composites that are exposed to the LEO environment. The atomic oxygen erosion yields for actual and predicted LEO exposure of numerous materials are presented. Results of in-space exposure of vacuum deposited aluminum protective coatings on polyimide Kapton indicate high rates of degradation are associated with aluminum coatings on both surfaces of the Kapton. Computational modeling predictions indicate that less trapping of the atomic oxygen occurs, with less resulting damage, if only the space-exposed surface is coated with vapor deposited aluminum rather than having both surfaces coated.

Evidence for alkali metal formation at a cathode interface of organic electroluminescent devices by thermal decomposition of alkali metal carboxylates during their vapor deposition

NASA Astrophysics Data System (ADS)

Ganzorig, Chimed; Fujihira, Masamichi

2004-11-01

This study examines the possibility of thermal decomposition of Na salts of acetate, benzoate, and fluoride during vacuum vapor deposition using a quartz crystal microbalance to measure negative frequency shift (Δf) caused by increasing mass deposited from the same amount of source materials. Cs acetate is also examined. We compare the negative frequency shift-source current (Δf -I) curves of the Na salts with those of organic materials such as tris(8-hydroxyquinoline)aluminum and N ,N'-diphenyl-N,N'-bis(3-methylphenyl)-1,1'-biphenyl-4,4'-diamine. CH3COONa and C6H5COONa exhibit much lower Δf than the organic materials. CH3COOCs gives much larger Δf than CH3COONa due to the higher atomic weight of Cs. These exhibit clear evidence for alkali metal formation by thermal decomposition during vapor deposition of alkali metal carboxylates.

Chemical mapping and quantification at the atomic scale by scanning transmission electron microscopy.

PubMed

Chu, Ming-Wen; Chen, Cheng Hsuan

2013-06-25

With innovative modern material-growth methods, a broad spectrum of fascinating materials with reduced dimensions-ranging from single-atom catalysts, nanoplasmonic and nanophotonic materials to two-dimensional heterostructural interfaces-is continually emerging and extending the new frontiers of materials research. A persistent central challenge in this grand scientific context has been the detailed characterization of the individual objects in these materials with the highest spatial resolution, a problem prompting the need for experimental techniques that integrate both microscopic and spectroscopic capabilities. To date, several representative microscopy-spectroscopy combinations have become available, such as scanning tunneling microscopy, tip-enhanced scanning optical microscopy, atom probe tomography, scanning transmission X-ray microscopy, and scanning transmission electron microscopy (STEM). Among these tools, STEM boasts unique chemical and electronic sensitivity at unparalleled resolution. In this Perspective, we elucidate the advances in STEM and chemical mapping applications at the atomic scale by energy-dispersive X-ray spectroscopy and electron energy loss spectroscopy with a focus on the ultimate challenge of chemical quantification with atomic accuracy.

Orbital atomic oxygen effects on materials: An overview of MSFC experiments on the STS-46 EOIM-3

NASA Astrophysics Data System (ADS)

Linton, Roger C.; Vaughn, Jason A.; Finckenor, Miria M.; Kamenetzky, Rachel R.; Dehaye, Robert F.; Whitaker, Ann F.

1995-02-01

The third Evaluation of Oxygen Interaction with Materials experiment was flown on Space Shuttle Mission STS-46 (July 31 - August 8, 1992), representing a joint effort of several NASA centers, universities, and contractors. This array of active instrumentation and material exposure sub-assemblies was integrated as a Shuttle cargo bay pallet experiment for investigating the effects of orbital atomic oxygen on candidate space materials. Marshall Space Flight Center contributed several passive exposure trays of material specimens, uniform stress and static stress material exposure fixtures, the Atomic Oxygen Resistance Monitor (AORM), and specimens of thermal coatings for the EOIM-3 variable exposure mechanisms. As a result of 42 hours of spacecraft velocity vector-oriented exposure during the later phases of the STS-46 mission in LEO, EOIM-3 materials were exposed to an atomic oxygen fluence of 2.2 x 10(exp 20) atoms/sq cm. In this paper, an overview is presented of the technical approaches and results from analyses of the MSFC flight specimens, fixtures, and the AORM. More detailed results from earlier EOIM missions, the LDEF, and from laboratory testing are included in associated papers of this conference session.

Orbital atomic oxygen effects on materials: An overview of MSFC experiments on the STS-46 EOIM-3

NASA Technical Reports Server (NTRS)

Linton, Roger C.; Vaughn, Jason A.; Finckenor, Miria M.; Kamenetzky, Rachel R.; Dehaye, Robert F.; Whitaker, Ann F.

1995-01-01

The third Evaluation of Oxygen Interaction with Materials experiment was flown on Space Shuttle Mission STS-46 (July 31 - August 8, 1992), representing a joint effort of several NASA centers, universities, and contractors. This array of active instrumentation and material exposure sub-assemblies was integrated as a Shuttle cargo bay pallet experiment for investigating the effects of orbital atomic oxygen on candidate space materials. Marshall Space Flight Center contributed several passive exposure trays of material specimens, uniform stress and static stress material exposure fixtures, the Atomic Oxygen Resistance Monitor (AORM), and specimens of thermal coatings for the EOIM-3 variable exposure mechanisms. As a result of 42 hours of spacecraft velocity vector-oriented exposure during the later phases of the STS-46 mission in LEO, EOIM-3 materials were exposed to an atomic oxygen fluence of 2.2 x 10(exp 20) atoms/sq cm. In this paper, an overview is presented of the technical approaches and results from analyses of the MSFC flight specimens, fixtures, and the AORM. More detailed results from earlier EOIM missions, the LDEF, and from laboratory testing are included in associated papers of this conference session.

Atomization of metal (Materials Preparation Center)

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2010-01-01

Atomization of metal requires high pressure gas and specialized chambers for cooling and collecting the powders without contamination. The critical step for morphological control is the impingement of the gas on the melt stream. The video is a color video of a liquid metal stream being atomized by high pressure gas. This material was cast at the Ames Laboratory's Materials Preparation Center http://www.mpc.ameslab.gov WARNING - AUDIO IS LOUD.

Multimillion Atom Reactive Simulations of Nanostructured Energetic Materials

DTIC Science & Technology

2007-08-01

code) 2007 Reprint Aug 2006-Aug 2007 Multimillion Atom Reactive Simulations of Nanostructured Energetic Materials W911NF-04-1-0178 sub 2781-USC-DOA...Priya Vashishta 213 821 2663 Reset Multimillion Atom Reactive Simulations of Nanostructured Energetic Materials Priya Vashishta,∗ Rajiv K. Kalia...function of the particle velocity that drives the shock [18]. The MD and experimental data agree very well. Furthermore, the simulation shows a sudden

Improvement of sensitivity of electrolyte cathode discharge atomic emission spectrometry (ELCAD-AES) for mercury using acetic acid medium.

PubMed

Shekhar, R

2012-05-15

A method has been developed to improve the sensitivity of the electrolyte cathode discharge atomic emission spectrometry (ELCAD-AES) for mercury determination. Effects of various low molecular weight organic solvents at different volume percentages as well as at different acid molarities on the mercury signal were investigated using ELCAD-AES. The addition of few percent of organic solvent, acetic acid produced significant enhancement in mercury signal. Acetic acid of 5% (v/v) with the 0.2M acidity has been found to give 500% enhancement for mercury signal in flow injection mode. Under the optimized parameters the repeatability, expressed as the percentage relative standard deviation of spectral peak area for mercury with 5% acetic acid was found to be 10% for acid blank solution and 5% for 20 ng/mL mercury standard based on multiple measurements with a multiple sample loading in flow injection mode. Limit of detection of this method was determined to be 2 ng/mL for inorganic mercury. The proposed method has been validated by determining mercury in certified reference materials, Tuna fish (IAEA-350) and Aquatic plant (BCR-060). Accuracy of the method for the mercury determination in the reference materials has been found to be between 3.5% and 5.9%. This study enhances the utility of ELCAD-AES for various types of biological and environmental materials to quantify total mercury at very low levels. Copyright © 2012 Elsevier B.V. All rights reserved.

Shielding materials for highly penetrating space radiations

NASA Technical Reports Server (NTRS)

Kiefer, Richard L.; Orwoll, Robert A.

1995-01-01

Interplanetary travel involves the transfer from an Earth orbit to a solar orbit. Once outside the Earth's magnetosphere, the major sources of particulate radiation are solar cosmic rays (SCR's) and galactic cosmic rays (GCR's). Intense fluxes of SCR's come from solar flares and consist primarily of protons with energies up to 1 GeV. The GCR consists of a low flux of nuclei with energies up to 10(exp 10) GeV. About 70 percent of the GCR are protons, but a small amount (0.6 percent) are nuclei with atomic numbers greater than 10. High energy charged particles (HZE) interact with matter by transferring energy to atomic electrons in a Coulomb process and by reacting with an atomic nucleus. Energy transferred in the first process increases with the square of the atomic number, so particles with high atomic numbers would be expected to lose large amounts of energy by this process. Nuclear reactions produced by (HZE) particles produce high-energy secondary particles which in turn lose energy to the material. The HZE nuclei are a major concern for radiation protection of humans during interplanetary missions because of the very high specific ionization of both primary and secondary particles. Computer codes have been developed to calculate the deposition of energy by very energetic charged particles in various materials. Calculations show that there is a significant buildup of secondary particles from nuclear fragmentation and Coulomb dissociation processes. A large portion of these particles are neutrons. Since neutrons carry no charge, they only lose energy by collision or reaction with a nucleus. Neutrons with high energies transfer large amounts of energy by inelastic collisions with nuclei. However, as the neutron energy decreases, elastic collisions become much more effective for energy loss. The lighter the nucleus, the greater the fraction of the neutron's kinetic energy that can be lost in an elastic collision. Thus, hydrogen-containing materials such as polymers are most effective in reducing the energy of neutrons. Once neutrons are reduced to very low energies, the probability for undergoing a reaction with a nucleus (the cross section) becomes very high. The product of such a reaction is often radioactive and can involve the release of a significant amount of energy. Thus, it is important to provide protection from low energy neutrons during a long duration space flight. Among the light elements, lithium and boron each have an isotope with a large thermal neutron capture cross section, Li-6 and B-10. However, B-10 is more abundant in the naturally-occurring element than Li-6, has a thermal neutron capture cross section four times that of Li-6, and produces the stable products, He-4 and Li-7 in the interaction while Li-6 produces radioactive tritium (H-3). Thus, boron is the best light-weight material for thermal neutron absorption in spacecraft. The work on this project was focused in two areas: computer design where existing computer codes were used, and in some cases modified, to calculate the propagation and interactions of high energy charged particles through various media, and materials development where boron was incorporated into high performance materials.

Materials screening chamber for testing materials resistance to atomic oxygen

NASA Technical Reports Server (NTRS)

Pippin, H. G.; Carruth, Ralph

1989-01-01

A unique test chamber for exposing material to a known flux of oxygen atoms is described. The capabilities and operating parameters of the apparatus include production of an oxygen atom flux in excess of 5 x 10 to the 16th atoms/sq cm-sec, controlled heating of the sample specimen, RF circuitry to contain the plasma within a small volume, and long exposure times. Flux measurement capabilities include a calorimetric probe and a light titration system. Accuracy and limitations of these techniques are discussed. An extension to the main chamber to allow simultaneous ultraviolet and atomic oxygen exposure is discussed. The oxygen atoms produced are at thermal energies. Sample specimens are maintained at any selected temperature between ambient and 200 C, to within + or - 2 C. A representative example of measurements made using the chamber is presented.

Biomagnification of PBDEs and PCBs in food webs from the Baltic Sea and the northern Atlantic Ocean.

PubMed

Burreau, Sven; Zebühr, Yngve; Broman, Dag; Ishaq, Rasha

2006-08-01

Biomagnification of polychlorinated biphenyls (PCBs) and polybrominated diphenylethers (PBDEs) in food webs from the Baltic Sea and the northern Atlantic Sea was investigated. For this, we used PCB and PBDE concentration data, together with data on fish body weight and delta15N of fish and zooplankton as a measure of trophic position. In the Baltic Sea material, consisting of zooplankton, sprat, herring and salmon, we report biomagnification of all PCB congeners but PCB #209 and of PBDEs with 3-6 or 7 bromine atoms. Higher brominated PBDEs and PCB 209 did not biomagnify likely due to their high molecular weights or sizes and subsequent inefficient dietary uptake in fish. If salmon was excluded from the statistical analysis, strong biomagnification of PCB #209 was evident, indicating species differences in biomagnification. In the Baltic Sea material delta15N and body weight covaried. In the Atlantic Sea material, consisting of fish samples (herring and salmon) of larger body sizes, we show positive correlation between concentrations of most PCBs and PBDEs and body weight without increasing delta15N. This shows that biomagnification in some cases depends on body size and not trophic position. We conclude that there probably is trophic position dependence in biomagnification, which was manifested in a food chain from zooplankton to piscivores, but no further trophic position influence on biomagnification in fish at the highest trophic levels. In these fish, there was a body size effect leading to biomagnification, probably due to slower clearance in larger fish. PCB concentrations were generally between 2 and 6 times higher in Baltic Sea salmon than in Atlantic Sea salmon. Higher PBDE concentrations in the Baltic compared to the Atlantic Sea salmon were also found, but with a larger variation between congeners. Nona- to deca-BDEs were found in most investigated samples, which illustrates the bioavailability of these compounds. Unidentified penta-, hexa-, hepta-, and octa- BDEs were found in several samples.

Protocol for Atomic Oxygen Testing of Materials in Ground-Based Facilities. No. 2

NASA Technical Reports Server (NTRS)

Minton, Timothy K.

1995-01-01

A second version of standard guidelines is proposed for improving materials testing in ground-based atomic oxygen environments for the purpose of predicting the durability of the tested materials in low Earth orbit (LEO). Accompanying these guidelines are background information and notes about testing. Both the guidelines and the additional information are intended to aid users who wish to evaluate the potential hazard of atomic oxygen in LEO to a candidate space component without actually flying the component in space, and to provide a framework for more consistent atomic oxygen testing in the future.

Quantitative Subsurface Atomic Structure Fingerprint for 2D Materials and Heterostructures by First-Principles-Calibrated Contact-Resonance Atomic Force Microscopy.

PubMed

Tu, Qing; Lange, Björn; Parlak, Zehra; Lopes, Joao Marcelo J; Blum, Volker; Zauscher, Stefan

2016-07-26

Interfaces and subsurface layers are critical for the performance of devices made of 2D materials and heterostructures. Facile, nondestructive, and quantitative ways to characterize the structure of atomically thin, layered materials are thus essential to ensure control of the resultant properties. Here, we show that contact-resonance atomic force microscopy-which is exquisitely sensitive to stiffness changes that arise from even a single atomic layer of a van der Waals-adhered material-is a powerful experimental tool to address this challenge. A combined density functional theory and continuum modeling approach is introduced that yields sub-surface-sensitive, nanomechanical fingerprints associated with specific, well-defined structure models of individual surface domains. Where such models are known, this information can be correlated with experimentally obtained contact-resonance frequency maps to reveal the (sub)surface structure of different domains on the sample.

Atom chip microscopy: A novel probe for strongly correlated materials

NASA Astrophysics Data System (ADS)

Kasch, Brian; Naides, Matthew; Turner, Richard; Ray, Ushnish; Lev, Benjamin

2010-03-01

Atom chip technology---substrates supporting micron-sized current-carrying wires that create magnetic microtraps near surfaces for thermal or degenerate gases of neutral atoms---will enable single-shot, large area detection of magnetic flux below the 10-7 flux quantum level. By harnessing the extreme sensitivity of Bose-Einstein condensates (BECs) to external perturbations, cryogenic atom chips could provide a magnetic flux detection capability that surpasses all other techniques by a factor of 10^2--10^3. We describe the merits of atom chip microscopy, our Rb BEC and atom chip apparatus, and prospects for imaging strongly correlated condensed matter materials.

Slurry burner for mixture of carbonaceous material and water

DOEpatents

Nodd, Dennis G.; Walker, Richard J.

1987-01-01

A carbonaceous material-water slurry burner includes a high pressure tip-emulsion atomizer for directing a carbonaceous material-water slurry into a combustion chamber for burning therein without requiring a support fuel or oxygen enrichment of the combustion air. Introduction of the carbonaceous material-water slurry under pressure forces it through a fixed atomizer wherein the slurry is reduced to small droplets by mixing with an atomizing air flow and directed into the combustion chamber. The atomizer includes a swirler located immediately adjacent to where the fuel slurry is introduced into the combustion chamber and which has a single center channel through which the carbonaceous material-water slurry flows into a plurality of diverging channels continuous with the center channel from which the slurry exits the swirler immediately adjacent to an aperture in the combustion chamber. The swirler includes a plurality of slots around its periphery extending the length thereof through which the atomizing air flows and by means of which the atomizing air is deflected so as to exert a maximum shear force upon the carbonaceous material-water slurry as it exits the swirler and enters the combustion chamber. A circulating coolant system or boiler feed water is provided around the periphery of the burner along the length thereof to regulate burner operating temperature, eliminate atomizer plugging, and inhibit the generation of sparklers, thus increasing combustion efficiency. A secondary air source directs heated air into the combustion chamber to promote recirculation of the hot combustion gases within the combustion chamber.

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2012 CFR

2012-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2010 CFR

2010-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2014 CFR

2014-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2013 CFR

2013-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

10 CFR 780.41 - Contents of application.

Code of Federal Regulations, 2011 CFR

2011-01-01

... of the Atomic Energy Act of 1954 § 780.41 Contents of application. In addition to the information... production or utilization of special nuclear material or atomic energy; (b) The applicant's contention, with... production or utilization of special nuclear material or atomic energy to which applicant proposes to apply...

Electrostatic atomization: Effect of electrode materials on electrostatic atomizer performance

NASA Astrophysics Data System (ADS)

Sankaran, Abhilash; Staszel, Christopher; Kashir, Babak; Perri, Anthony; Mashayek, Farzad; Yarin, Alexander

2016-11-01

Electrostatic atomization was studied experimentally with a pointed electrode in a converging nozzle. Experiments were carried out on poorly conductive canola oil where it was observed that electrode material may affect charge transfer. This points at the possible faradaic reactions that can occur at the surfaces of the electrodes. The supply voltage is applied to the sharp electrode and the grounded nozzle body constitutes the counter-electrode. The charge transfer is controlled by the electrochemical reactions on both the electrodes. The electrical performance study of the atomizer issuing a charged oil jet was conducted using three different nozzle body materials - brass, copper and stainless steel. Also, two sharp electrode materials - brass and stainless steel - were tested. The experimental results revealed that both the nozzle body material, as well as the sharp electrode material affected the spray and leak currents. Moreover, the effect of the sharp electrode material is quite significant. This research is supported by NSF Grant 1505276.

Hamiltonian adaptive resolution molecular dynamics simulation of infrared dielectric functions of liquids

NASA Astrophysics Data System (ADS)

Wang, C. C.; Tan, J. Y.; Liu, L. H.

2018-05-01

Hamiltonian adaptive resolution scheme (H-AdResS), which allows to simulate materials by treating different domains of the system at different levels of resolution, is a recently proposed atomistic/coarse-grained multiscale model. In this work, a scheme to calculate the dielectric functions of liquids on account of H-AdResS is presented. In the proposed H-AdResS dielectric-function calculation scheme (DielectFunctCalS), the corrected molecular dipole moments are calculated by multiplying molecular dipole moment by the weighting fraction of the molecular mapping point. As the widths of all-atom and hybrid regions show different degrees of influence on the dielectric functions, a prefactor is multiplied to eliminate the effects of all-atom and hybrid region widths. Since one goal of using the H-AdResS method is to reduce computational costs, widths of the all-atom region and the hybrid region can be reduced considering that the coarse-grained simulation is much more timesaving compared to atomistic simulation. Liquid water and ethanol are taken as test cases to validate the DielectFunctCalS. The H-AdResS DielectFunctCalS results are in good agreement with all-atom molecular dynamics simulations. The accuracy of the H-AdResS results, together with all-atom molecular dynamics results, depends heavily on the choice of the force field and force field parameters. The H-AdResS DielectFunctCalS allows us to calculate the dielectric functions of macromolecule systems with high efficiency and makes the dielectric function calculations of large biomolecular systems possible.

Atomic Oxygen Exposure of Power System and other Spacecraft Materials: Results of the EOIM-3 Experiment

NASA Technical Reports Server (NTRS)

Morton, Thomas L.; Ferguson, Dale C.

1997-01-01

In order to test their reactivity with Atomic Oxygen, twenty five materials were flown on the EOIM-3 (Evaluation of Oxygen Interactions with Materials) portion of the STS-46 Mission. These materials include refractory metals, candidate insulation materials, candidate radiator coatings, and a selection of miscellaneous materials. This report documents the results of the pre- and post-flight analysis of these materials.

ISO/GUM UNCERTAINTIES AND CIAAW (UNCERTAINTY TREATMENT FOR RECOMMENDED ATOMIC WEIGHTS AND ISOTOPIC ABUNDANCES)

DOE Office of Scientific and Technical Information (OSTI.GOV)

HOLDEN,N.E.

2007-07-23

The International Organization for Standardization (ISO) has published a Guide to the expression of Uncertainty in Measurement (GUM). The IUPAC Commission on Isotopic Abundance and Atomic Weight (CIAAW) began attaching uncertainty limits to their recommended values about forty years ago. CIAAW's method for determining and assigning uncertainties has evolved over time. We trace this evolution to their present method and their effort to incorporate the basic ISO/GUM procedures into evaluations of these uncertainties. We discuss some dilemma the CIAAW faces in their present method and whether it is consistent with the application of the ISO/GUM rules. We discuss the attemptmore » to incorporate variations in measured isotope ratios, due to natural fractionation, into the ISO/GUM system. We make some observations about the inconsistent treatment in the incorporation of natural variations into recommended data and uncertainties. A recommendation for expressing atomic weight values using a tabulated range of values for various chemical elements is discussed.« less

Atomic Oxygen and Space Environment Effects on Aerospace Materials Flown with EOIM-3 Experiment

NASA Technical Reports Server (NTRS)

Scialdone, John J.; Clatterbuck, Carroll H.; Ayres-Treusdell, Mary; Park, Gloria; Kolos, Diane

1996-01-01

Polymer materials samples mounted on a passive carrier tray were flown aboard the STS-46 Atlantis shuttle as complement to the EOIM-3 (Evaluation of Oxygen Interaction with Materials) experiment to evaluate the effects of atomic oxygen on the materials and to measure the gaseous shuttle bay environment. The morphological changes of the samples produced by the atomic oxygen fluence of 2.07 x 10(exp 20) atoms/cm(exp 2) are being reported. The changes have been verified using Electron Spectroscopy for Chemical Analysis (ESCA), gravimetric measurement, microscopic observations and thermo-optical measurements. The samples, including Kapton, Delrin, epoxies, Beta Cloth, Chemglaze Z306, silver Teflon, silicone coatings, 3M tape and Uralane and Ultem, PEEK, Victrex (PES), Polyethersulfone and Polymethylpentene thermoplastic, have been characterized by their oxygen reaction efficiency on the basis of their erosion losses and the oxygen fluence. Those efficiencies have been compared to results from other experiments, when available. The efficiencies of the samples are all in the range of E-24 g/atom. The results indicate that the reaction efficiencies of the reported materials can be grouped in about three ranges of values. The least affected materials which have efficiencies varying from 1 to 10(exp 25) g/atom, include silicones, epoxies, Uralane and Teflon. A second group with efficiency from 10 to 45(exp 25) g/atom includes additional silicone coatings, the Chemglaze Z306 paint and Kapton. The third range from 50 to 75(exp 25) includes organic compound such as Pentene, Peek, Ultem, Sulfone and a 3M tape. A Delrin sample had the highest reaction efficiency of 179(exp 25) g/atom. Two samples, the aluminum Beta cloth X389-7 and the epoxy fiberglass G-11 nonflame retardant, showed a slight mass increase.

Intelsat solar array coupon atomic oxygen flight experiment

NASA Technical Reports Server (NTRS)

Koontz, S.; King, G.; Dunnet, A.; Kirkendahl, T.; Linton, R.; Vaughn, J.

1994-01-01

A Hughes communications satellite (INTELSAT series) belonging to the INTELSAT Organization was marooned in low-Earth orbit (LEO) on March 14, 1990, following failure of the Titan launch vehicle third stage to separate properly. The satellite, INTELSAT 6, was designed for service in geosynchronous orbit and contains several materials that are potentially susceptible to attack by atomic oxygen. Analysis showed that direct exposure of the silver interconnects in the satellite photovoltaic array to atomic oxygen in LEO was the key materials issue. Available data on atomic oxygen degradation of silver are limited and show high variance, so solar array configurations of the INTELSAT 6 type and individual interconnects were tested in ground-based facilities and during STS-41 (Space Shuttle Discovery, October 1990) as part of the ISAC flight experiment. Several materials for which little or no flight data exist were also tested for atomic oxygen reactivity. Dry lubricants, elastomers, and polymeric and inorganic materials were exposed to an oxygen atom fluence of 1.1 x 10(exp 20) atoms cm(exp 2). Many of the samples were selected to support Space Station Freedom design and decision making. This paper provides an overview of the ISAC flight experiment and a brief summary of results. In addition to new data on materials not before flown, ISAC provided data supporting the decision to rescue INTELSAT 6, which was successfully undertaken in May 1992.

Performance evaluation of different diamond-like carbon samples as charge state conversion surfaces for neutral atom imaging detectors in space applications

NASA Astrophysics Data System (ADS)

Brigitte Neuland, Maike; Allenbach, Marc; Föhn, Martina; Wurz, Peter

2017-04-01

The detection of energetic neutral atoms is a substantial requirement on every space mission mapping particle populations of a planetary magnetosphere or plasma of the interstellar medium. For imaging neutrals, these first have to be ionised. Regarding the constraints of weight, volume and power consumption, the technique of surface ionisation complies with all specifications of a space mission. Particularly low energy neutral atoms, which cannot be ionised by passing through a foil, are ionised by scattering on a charge state conversion surface [1]. Since more than 30 years intense research work is done to find and optimise suitable materials for use as charge state conversion surfaces for space application. Crucial parameters are the ionisation efficiency of the surface material and the scattering properties. Regarding these parameters, diamond-like carbon was proven advantageously: While efficiently ionising incoming neutral atoms, diamond stands out by its durability and chemical inertness [2]. In the IBEX-Lo sensor, a diamond-like carbon surface is used for ionisation of neutral atoms. Building on the successes of the IBEX mission [3], the follow up mission IMAP (InterstellarMApping Probe) will take up to further explore the boundaries of the heliosphere. The IMAP mission is planned to map neutral atoms in a larger energy range and with a distinct better angular resolution and sensitivity than IBEX [4]. The aspired performance of the IMAP sensors implies also for charge state conversion surfaces with improved characteristics. We investigated samples of diamond-like carbon, manufactured by the chemical vapour deposition (CVD) method, regarding their ionisation efficiency, scattering and reflexion properties. Experiments were carried out at the ILENA facility at the University of Bern [5] with hydrogen and oxygen atoms, which are the species of main interest in magnetospheric research [1]. We compare the results of earlier investigations of a metallised CVD sample [6] to our latest measurements of a Boron-doped CVD diamond sample. We additionally measured the B-concentration in the sample to prove our predictions of the B-concentration needed to reach sufficient conductibility for the sample not getting electrostatically charged during instrument operation. The results of narrower scattering cones and higher ionisation efficiency show that diamond-like carbon still is the preferred material for charge state conversion surfaces and that new surface technologies offer improved diamond conversion surfaces with different properties and hence the possibility for improvement of the performance of neutral atom imaging instruments. References: [1] P. Wurz, Detection of Energetic Neutral Atoms, in The Outer Heliosphere: Beyond the Planets, Copernicus Gesellschaft e.V., Katlenburg-Lindau, Germany, 2000, p. 251-288. [2] P. Wurz, R. Schletti, M.R. Aellig, Surf. Sci. 373(1997), 56-66. [3] D.J. McComas et al., Geophys. Res. Lett. 38(2011), L18101. [4] N.A. Schwadron et al., J. of Phys.. Conf. Series 767(2016): 012025 [5] P. Wahlström, J.A. Scheer, A. Riedo, P. Wurz and M. Wieser, J. Spacecr. Rockets 50 (2013): 402-410. [6] M.B. Neuland, J.A. Scheer, A. Riedo and P. Wurz, Appl. Surf. Sci. 313(2014):293-303.

Direct Determination of Atomic Structure and Magnetic Coupling of Magnetite Twin Boundaries.

PubMed

Chen, Chunlin; Li, Hongping; Seki, Takehito; Yin, Deqiang; Sanchez-Santolino, Gabriel; Inoue, Kazutoshi; Shibata, Naoya; Ikuhara, Yuichi

2018-03-27

Clarifying how the atomic structure of interfaces/boundaries in materials affects the magnetic coupling nature across them is of significant academic value and will facilitate the development of state-of-the-art magnetic devices. Here, by combining atomic-resolution transmission electron microscopy, atomistic spin-polarized first-principles calculations, and differential phase contrast imaging, we conduct a systematic investigation of the atomic and electronic structures of individual Fe 3 O 4 twin boundaries (TBs) and determine their concomitant magnetic couplings. We demonstrate that the magnetic coupling across the Fe 3 O 4 TBs can be either antiferromagnetic or ferromagnetic, which directly depends on the TB atomic core structures and resultant electronic structures within a few atomic layers. Revealing the one-to-one correspondence between local atomic structures and magnetic properties of individual grain boundaries will shed light on in-depth understanding of many interesting magnetic behaviors of widely used polycrystalline magnetic materials, which will surely promote the development of advanced magnetic materials and devices.

Atomic-Scale Variations of the Mechanical Response of 2D Materials Detected by Noncontact Atomic Force Microscopy.

PubMed

de la Torre, B; Ellner, M; Pou, P; Nicoara, N; Pérez, Rubén; Gómez-Rodríguez, J M

2016-06-17

We show that noncontact atomic force microscopy (AFM) is sensitive to the local stiffness in the atomic-scale limit on weakly coupled 2D materials, as graphene on metals. Our large amplitude AFM topography and dissipation images under ultrahigh vacuum and low temperature resolve the atomic and moiré patterns in graphene on Pt(111), despite its extremely low geometric corrugation. The imaging mechanisms are identified with a multiscale model based on density-functional theory calculations, where the energy cost of global and local deformations of graphene competes with short-range chemical and long-range van der Waals interactions. Atomic contrast is related with short-range tip-sample interactions, while the dissipation can be understood in terms of global deformations in the weakly coupled graphene layer. Remarkably, the observed moiré modulation is linked with the subtle variations of the local interplanar graphene-substrate interaction, opening a new route to explore the local mechanical properties of 2D materials at the atomic scale.

ATOMIC PHYSICS, AN AUTOINSTRUCTIONAL PROGRAM, VOLUME 2, SUPPLEMENT.

ERIC Educational Resources Information Center

DETERLINE, WILLIAM A.; KLAUS, DAVID J.

THE AUTOINSTRUCTIONAL MATERIALS IN THIS TEXT WERE PREPARED FOR USE IN AN EXPERIMENTAL STUDY, OFFERING SELF-TUTORING MATERIAL FOR LEARNING ATOMIC PHYSICS. THE TOPICS COVERED ARE (1) ISOTOPES AND MASS NUMBERS, (2) MEASURING ATOMIC MASS, (3) DISCOVERY OF THE NUCLEUS, (4) STRUCTURE OF THE NUCLEUS, (5) DISCOVERY OF THE NEUTRON, (6) NUCLEAR REACTIONS,…

Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

DOEpatents

Doeff, Marca M.; Peng, Marcus Y.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard C.

1996-01-01

An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M.sub.x Z.sub.y Mn.sub.(1-y) O.sub.2, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell.

Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

DOEpatents

Doeff, M.M.; Peng, M.Y.; Ma, Y.; Visco, S.J.; DeJonghe, L.C.

1996-09-24

An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M{sub x}Z{sub y}Mn{sub (1{minus}y)}O{sub 2}, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell. 11 figs.

Realization of a Hole-Doped Mott Insulator on a Triangular Silicon Lattice

NASA Astrophysics Data System (ADS)

Ming, Fangfei; Johnston, Steve; Mulugeta, Daniel; Smith, Tyler S.; Vilmercati, Paolo; Lee, Geunseop; Maier, Thomas A.; Snijders, Paul C.; Weitering, Hanno H.

2017-12-01

The physics of doped Mott insulators is at the heart of some of the most exotic physical phenomena in materials research including insulator-metal transitions, colossal magnetoresistance, and high-temperature superconductivity in layered perovskite compounds. Advances in this field would greatly benefit from the availability of new material systems with a similar richness of physical phenomena but with fewer chemical and structural complications in comparison to oxides. Using scanning tunneling microscopy and spectroscopy, we show that such a system can be realized on a silicon platform. The adsorption of one-third monolayer of Sn atoms on a Si(111) surface produces a triangular surface lattice with half filled dangling bond orbitals. Modulation hole doping of these dangling bonds unveils clear hallmarks of Mott physics, such as spectral weight transfer and the formation of quasiparticle states at the Fermi level, well-defined Fermi contour segments, and a sharp singularity in the density of states. These observations are remarkably similar to those made in complex oxide materials, including high-temperature superconductors, but highly extraordinary within the realm of conventional s p -bonded semiconductor materials. It suggests that exotic quantum matter phases can be realized and engineered on silicon-based materials platforms.

Probing the structure of heterogeneous diluted materials by diffraction tomography.

PubMed

Bleuet, Pierre; Welcomme, Eléonore; Dooryhée, Eric; Susini, Jean; Hodeau, Jean-Louis; Walter, Philippe

2008-06-01

The advent of nanosciences calls for the development of local structural probes, in particular to characterize ill-ordered or heterogeneous materials. Furthermore, because materials properties are often related to their heterogeneity and the hierarchical arrangement of their structure, different structural probes covering a wide range of scales are required. X-ray diffraction is one of the prime structural methods but suffers from a relatively poor detection limit, whereas transmission electron analysis involves destructive sample preparation. Here we show the potential of coupling pencil-beam tomography with X-ray diffraction to examine unidentified phases in nanomaterials and polycrystalline materials. The demonstration is carried out on a high-pressure pellet containing several carbon phases and on a heterogeneous powder containing chalcedony and iron pigments. The present method enables a non-invasive structural refinement with a weight sensitivity of one part per thousand. It enables the extraction of the scattering patterns of amorphous and crystalline compounds with similar atomic densities and compositions. Furthermore, such a diffraction-tomography experiment can be carried out simultaneously with X-ray fluorescence, Compton and absorption tomographies, enabling a multimodal analysis of prime importance in materials science, chemistry, geology, environmental science, medical science, palaeontology and cultural heritage.

Atom-Thin SnS2-xSex with Adjustable Compositions by Direct Liquid Exfoliation from Single Crystals.

PubMed

Yang, Zhanhai; Liang, Hui; Wang, Xusheng; Ma, Xinlei; Zhang, Tao; Yang, Yanlian; Xie, Liming; Chen, Dong; Long, Yujia; Chen, Jitao; Chang, Yunjie; Yan, Chunhua; Zhang, Xinxiang; Zhang, Xueji; Ge, Binghui; Ren, Zhian; Xue, Mianqi; Chen, Genfu

2016-01-26

Two-dimensional (2D) chalcogenide materials are fundamentally and technologically fascinating for their suitable band gap energy and carrier type relevant to their adjustable composition, structure, and dimensionality. Here, we demonstrate the exfoliation of single-crystal SnS2-xSex (SSS) with S/Se vacancies into an atom-thin layer by simple sonication in ethanol without additive. The introduction of vacancies at the S/Se site, the conflicting atomic radius of sulfur in selenium layers, and easy incorporation with an ethanol molecule lead to high ion accessibility; therefore, atom-thin SSS flakes can be effectively prepared by exfoliating the single crystal via sonication. The in situ pyrolysis of such materials can further adjust their compositions, representing tunable activation energy, band gap, and also tunable response to analytes of such materials. As the most basic and crucial step of the 2D material field, the successful synthesis of an uncontaminated and atom-thin sample will further push ahead the large-scale applications of 2D materials, including, but not limited to, electronics, sensing, catalysis, and energy storage fields.

Atomic and Excitonic Stability in Dirac Materials: A White Dwarf Perspective

NASA Astrophysics Data System (ADS)

Velizhanin, Kirill

2014-03-01

Dirac materials - systems where the low-energy spectrum of electronic excitations can be understood via solving the Dirac equation - draw a great amount of attention of the scientific community lately due to their enormous application potential and interesting basic physics. Examples of such materials include carbon nanotubes, graphene and, more recently, single-layer transition metal dichalcogenides. One surprising application of Dirac materials is their use as a platform to simulate various atomic and high-energy physics ``on a chip.'' For example, graphene has been recently used to ``mimic'' an atomic collapse of superheavy atoms [Y. Wang et al, Science, 340, 734, 2013]. In this talk I will discuss an unexpected similarity between atomic and excitonic collapse in Dirac materials and the limit of stability of such exotic astrophysical objects as degenerate stars (e.g., white dwarfs, neutron stars). Various aspects of this similarity, e.g., an application of the concept of the Chandrasekhar limit to the exciton stability in transition metal dichalcogenides, will be discussed. This work was performed under the NNSA of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396.

Use of Atomic Fuels for Rocket-Powered Launch Vehicles Analyzed

NASA Technical Reports Server (NTRS)

Palaszewski, Bryan A.

1999-01-01

At the NASA Lewis Research Center, the launch vehicle gross lift-off weight (GLOW) was analyzed for solid particle feed systems that use high-energy density atomic propellants (ref. 1). The analyses covered several propellant combinations, including atoms of aluminum, boron, carbon, and hydrogen stored in a solid cryogenic particle, with a cryogenic liquid as the carrier fluid. Several different weight percents for the liquid carrier were investigated, and the GLOW values of vehicles using the solid particle feed systems were compared with that of a conventional oxygen/hydrogen (O2/H2) propellant vehicle. Atomic propellants, such as boron, carbon, and hydrogen, have an enormous potential for high specific impulse Isp operation, and their pursuit has been a topic of great interest for decades. Recent and continuing advances in the understanding of matter, the development of new technologies for simulating matter at its most basic level, and manipulations of matter through microtechnology and nanotechnology will no doubt create a bright future for atomic propellants and an exciting one for the researchers exploring this technology.

Anion Exchange in II-VI Semiconducting Nanostructures via Atomic Templating.

PubMed

Agarwal, Rahul; Krook, Nadia M; Ren, Ming-Liang; Tan, Liang Z; Liu, Wenjing; Rappe, Andrew M; Agarwal, Ritesh

2018-03-14

Controlled chemical transformation of nanostructures is a promising technique to obtain precisely designed novel materials, which are difficult to synthesize otherwise. We report high-temperature vapor-phase anion-exchange reactions to chemically transform II-VI semiconductor nanostructures (100-300 nm length scale) while retaining the single crystallinity, crystal structure, morphology, and even defect distribution of the parent material via atomic templating. The concept of atomic templating is employed to obtain kinetically controlled, thermodynamically metastable structural phases such as zincblende CdSe and CdS from zincblende CdTe upon complete chemical replacement of Te with Se or S. The underlying transformation mechanisms are explained through first-principles density functional theory calculations. Atomic templating is a unique path to independently tune materials' phase and composition at the nanoscale, allowing the synthesis of novel materials.

Walking Down the Chalcogenic Group of the Periodic Table: From Singlet to Triplet Organic Emitters.

PubMed

Kremer, Adrian; Aurisicchio, Claudia; De Leo, Federica; Ventura, Barbara; Wouters, Johan; Armaroli, Nicola; Barbieri, Andrea; Bonifazi, Davide

2015-10-19

The synthesis, X-ray crystal structures, ground- and excited-state UV/Vis absorption spectra, and luminescence properties of chalcogen-doped organic emitters equipped on both extremities with benzoxa-, benzothia-, benzoselena- and benzotellurazole (1X and 2X ) moieties have been reported for the first time. The insertion of the four different chalcogen atoms within the same molecular skeleton enables the investigation of only the chalcogenic effect on the organisation and photophysical properties of the material. Detailed crystal-structure analyses provide evidence of similar packing for 2O -2Se , in which the benzoazoles are engaged in π-π stacking and, for the heavier atoms, in secondary X⋅⋅⋅X and X⋅⋅⋅N bonding interactions. Detailed computational analysis shows that the arrangement is essentially governed by the interplay of van der Waals and secondary bonding interactions. Progressive quenching of the fluorescence and concomitant onset of phosphorescence features with gradually shorter lifetimes are detected as the atomic weight of the chalcogen heteroatom increases, with the tellurium-doped derivatives exhibiting only emission from the lowest triplet excited state. Notably, the phosphorescence spectra of the selenium and tellurium derivatives can be recorded even at room temperature; this is a very rare finding for fully organic emitters. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Line splitting and modified atomic decay of atoms coupled with N quantized cavity modes

NASA Astrophysics Data System (ADS)

Zhu, Yifu

1992-05-01

We study the interaction of a two-level atom with N non-degenerate quantized cavity modes including dissipations from atomic decay and cavity damps. In the strong coupling regime, the absorption or emission spectrum of weakly excited atom-cavity system possesses N + 1 spectral peaks whose linewidths are the weighted averages of atomic and cavity linewidths. The coupled system shows subnatural (supernatural) atomic decay behavior if the photon loss rates from the N cavity modes are smaller (larger) than the atomic decay rate. If N cavity modes are degenerate, they can be treated effectively as a single mode. In addition, we present numerical calculations for N = 2 to characterize the system evolution from the weak coupling to strong coupling limits.

Exposure of LDEF materials to atomic oxygen: Results of EOIM 3

NASA Technical Reports Server (NTRS)

Jaggers, C. H.; Meshishnek, M. J.

1995-01-01

The third Effects of Oxygen Atom Interaction with Materials (EOIM 3) experiment flew on STS-46 from July 31 to August 8, 1992. The EOIM-3 sample tray was exposed to the low-earth orbit space environment for 58.55 hours at an altitude of 124 nautical miles resulting in a calculated total atomic oxygen (AO) fluence of 1.99 x 10(exp 20) atoms/sq cm. Five samples previously flown on the Long Duration Exposure Facility (LDEF) Experiment M0003 were included on the Aerospace EOIM 3 experimental tray: (1) Chemglaze A276 white thermal control paint from the LDEF trailing edge (TE); (2) S13GLO white thermal control paint from the LDEF TE; (3) S13GLO from the LDEF leading edge (LE) with a visible contamination layer from the LDEF mission; (4) Z306 black thermal control paint from the LDEF TE with a contamination layer from the LDEF mission; and (5) anodized aluminum from the LDEF TE with a contamination layer from the LDEF mission. The purpose of this experiment was twofold: (l) investigate the response of trailing edge LDEF materials to atomic oxygen exposure, thereby simulating LDEF leading edge phenomena; (2) investigate the response of contaminated LDEF samples to atomic oxygen in attempts to understand LDEF contamination-atomic oxygen interactions. This paper describes the response of these materials to atomic oxygen exposure, and compares the results of the EOIM 3 experiment to the LDEF mission and to ground-based atomic oxygen exposure studies.

Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales

NASA Astrophysics Data System (ADS)

Dongare, Avinash M.

2014-12-01

A computationally efficient modelling method called quasi-coarse-grained dynamics (QCGD) is developed to expand the capabilities of molecular dynamics (MD) simulations to model behaviour of metallic materials at the mesoscales. This mesoscale method is based on solving the equations of motion for a chosen set of representative atoms from an atomistic microstructure and using scaling relationships for the atomic-scale interatomic potentials in MD simulations to define the interactions between representative atoms. The scaling relationships retain the atomic-scale degrees of freedom and therefore energetics of the representative atoms as would be predicted in MD simulations. The total energetics of the system is retained by scaling the energetics and the atomic-scale degrees of freedom of these representative atoms to account for the missing atoms in the microstructure. This scaling of the energetics renders improved time steps for the QCGD simulations. The success of the QCGD method is demonstrated by the prediction of the structural energetics, high-temperature thermodynamics, deformation behaviour of interfaces, phase transformation behaviour, plastic deformation behaviour, heat generation during plastic deformation, as well as the wave propagation behaviour, as would be predicted using MD simulations for a reduced number of representative atoms. The reduced number of atoms and the improved time steps enables the modelling of metallic materials at the mesoscale in extreme environments.

Synergistic effects of ultraviolet radiation, thermal cycling and atomic oxygen on altered and coated Kapton surfaces

NASA Technical Reports Server (NTRS)

Dever, Joyce A.; Bruckner, Eric J.; Rodriguez, Elvin

1992-01-01

The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine their durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

Synergistic effects of ultraviolet radiation, thermal cycling, and atomic oxygen on altered and coated Kapton surfaces

NASA Technical Reports Server (NTRS)

Dever, Joyce A.; Bruckner, Eric J.; Rodriguez, Elvin

1992-01-01

The photovoltaic (PV) power system for Space Station Freedom (SSF) uses solar array blankets which provide structural support for the solar cells and house the electrical interconnections. In the low Earth orbital (LEO) environment where SSF will be located, surfaces will be exposed to potentially damaging environmental conditions including solar ultraviolet (UV) radiation, thermal cycling, and atomic oxygen. It is necessary to use ground based tests to determine how these environmental conditions would affect the mass loss and optical properties of candidate SSF blanket materials. Silicone containing, silicone coated, and SiO(x) coated polyimide film materials were exposed to simulated LEO environmental conditions to determine there durability and whether the environmental conditions of UV, thermal cycling and oxygen atoms act synergistically on these materials. A candidate PV blanket material called AOR Kapton, a polysiloxane polyimide cast from a solution mixture, shows an improvement in durability to oxygen atoms erosion after exposure to UV radiation or thermal cycling combined with UV radiation. This may indicate that the environmental conditions react synergistically with this material, and the damage predicted by exposure to atomic oxygen alone is more severe than that which would occur in LEO where atomic oxygen, thermal cycling and UV radiation are present together.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goodwin, Andrew; Wang, Weiyu; Kang, Nam -Goo

We present in this paper the synthesis of poly(n-butyl acrylate)-g-poly(methyl methacrylate) (PnBA-g-PMMA) multigraft copolymers via a grafting-through (macromonomer) approach. The synthesis was performed using two controlled polymerization techniques. The PMMA macromonomer was obtained by high-vacuum anionic polymerization followed by the copolymerization of n-butyl acrylate and PMMA macromonomer using reversible addition–fragmentation chain transfer (RAFT) polymerization to yield the desired all-acrylic multigraft structures. The PnBA-g-PMMA multigraft structures exhibit randomly spaced branch points with various PMMA contents, ranging from 15 to 40 vol %, allowing an investigation into how physical properties vary with differences in the number of branch points and molecular weightmore » of grafted side chains. The determination of molecular weight and polydispersity indices of both the PMMA macromonomer and the graft copolymers was carried out using size exclusion chromatography with triple detection, and the structural characteristics of both the macromonomer and PnBA-g-PMMA graft materials were characterized by 1H and 13C NMR. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry was employed for monitoring the macromonomer synthesis. Thermal characteristics of the materials were analyzed using differential scanning calorimetry and thermogravimetric analysis. The mechanical performance of the graft materials was characterized by rheology and dynamic mechanical analysis, revealing that samples with PMMA content of 25–40 vol % exhibit superior elastomeric properties as compared to materials containing short PMMA side chains or <25 vol % PMMA. In conclusion, atomic force microscopy showed a varying degree of microphase separation between the glassy and rubbery components that is strongly dependent on PMMA side chain molecular weight.« less

Group electronegativity for prediction of materials hardness.

PubMed

Li, Keyan; Yang, Peng; Niu, Lingxiao; Xue, Dongfeng

2012-06-28

We have developed a method to predict the hardness of materials containing ultrastrong anionic polyhedra, dense atomic clusters, and layers stacked through van der Waals bonds on the basis of group electronegativity. By considering these polyhedra, clusters, and layers as groups that behave as rigid unities like superatoms bonding to other atoms or groups, the hardness values of materials such as oxysalts, T-carbon, and graphite were quantitatively calculated, and the results are consistent with the available experiments. We found that the hardness of materials containing these artificial groups is determined by the bonds between the groups and other atoms or groups, rather than by the weakest bonds. This work sheds light on the nature of materials hardness and the design of novel inorganic crystal materials.

High frequency transformers and high Q factor inductors formed using epoxy-based magnetic polymer materials

DOEpatents

Sanchez, Robert O.; Gunewardena, Shelton; Masi, James V.

2007-11-27

An electrical component in the form of an inductor or transformer is disclosed which includes one or more coils and a magnetic polymer material located near the coils or supporting the coils to provide an electromagnetic interaction therewith. The magnetic polymer material is preferably a cured magnetic epoxy which includes a mercaptan derivative having a ferromagnetic atom chemically bonded therein. The ferromagnetic atom can be either a transition metal or rare-earth atom.

High frequency transformers and high Q factor inductors formed using epoxy-based magnetic polymer materials

DOEpatents

Sanchez, Robert O.; Gunewardena, Shelton; Masi, James V.

2005-03-29

An electrical component in the form of an inductor or transformer is disclosed which includes one or more coils and a magnetic polymer material located near the coils or supporting the coils to provide an electromagnetic interaction therewith. The magnetic polymer material is preferably a cured magnetic epoxy which includes a mercaptan derivative having a ferromagnetic atom chemically bonded therein. The ferromagnetic atom can be either a transition metal or rare-earth atom.

Vacuum ultraviolet radiation/atomic oxygen synergism in materials reactivity

NASA Technical Reports Server (NTRS)

Koontz, Steven; Leger, Lubert; Albyn, Keith; Cross, Jon

1990-01-01

Experimental results are presented which indicate that low fluxes of vacuum UV (VUV) radiation exert a pronounced influence on the atomic oxygen reactivity of such fluorocarbon and fluorocarbon spacecraft materials as the FEP Teflon and PCTFE that are under consideration for the Space Station Freedom. With simultaneous exposure to VUV fluxes comparable to those experienced in LEO, the reactivity of these materials becomes comparable to that of Kapton; VUV radiation has also been shown to increase the reactivity of Kapton with thermal-energy oxygen atoms.

Molecular hydrogen sorption capacity of D-shwarzites

NASA Astrophysics Data System (ADS)

Krasnov, Pavel O.; Shkaberina, Guzel S.; Kuzubov, Alexander A.; Kovaleva, Evgenia A.

2017-09-01

Schwarzites are one of the most well-known forms of nanoporous carbon. High porosity and large surface area of these materials make them promising candidates for molecular hydrogen storage. Quantum-chemical modeling showed that hydrogen weight fraction inside D-schwarzite structure depends on the number of atoms per unit cell that determines its size and morphology. D480 schwarzite has demonstrated the largest value of hydrogen sorption capacity amongst the structures considered in this work. It reaches 7.65% at the technologically acceptable values of temperature and pressure (300 K and 10 MPa). Though being lower than that required by DOE (9%), this amount can be increased by using schwarzites with larger unit cell corresponding to the larger surface area.

The Atmospheric Tomography Mission (ATom): Comparing the Chemical Climatology of Reactive Species and Air Parcels from Measurements and Global Models

NASA Astrophysics Data System (ADS)

Prather, M. J.; Flynn, C.; Wennberg, P. O.; Kim, M. J.; Ryerson, T. B.; Hanisco, T. F.; Diskin, G. S.; Daube, B. C.; Commane, R.; McKain, K.; Apel, E. C.; Blake, N. J.; Blake, D. R.; Elkins, J. W.; Hall, S.; Steenrod, S.; Strahan, S. E.; Lamarque, J. F.; Fiore, A. M.; Horowitz, L. W.; Murray, L. T.; Mao, J.; Shindell, D. T.; Wofsy, S. C.

2017-12-01

The NASA Atmospheric Tomography Mission (ATom) is building a photochemical climatology of the remote troposphere based on objective sampling and profiling transects over the Pacific and Atlantic Oceans. These statistics provide direct tests of chemistry-climate models. The choice of species focuses on those controlling primary reactivity (a.k.a. oxidative state) of the troposphere, specifically chemical tendencies of O3 and CH4. These key species include, inter alia, O3, CH4, CO, C2H6, other alkanes, alkenes, aromatics, NOx, HNO3, HO2NO2, PAN, other organic nitrates, H2O, HCHO, H2O2, CH3OOH. Three of the four ATom deployments are now complete, and data from the first two (ATom-1 & -2) have been released as of this talk (see espoarchive.nasa.gov/archive/browse/atom). The statistical distributions of key species are presented as 1D and 2D probability densities (PDs) and we focus here on the tropical and mid-latitude regions of the Pacific during ATom-1 (Aug) and -2 (Feb). PDs are computed from ATom observations and 6 global chemistry models over the tropospheric depth (0-12 km) and longitudinal extent of the observations. All data are weighted to achieve equal mass-weighting by latitude regimes to account for spatial sampling biases. The models are used to calculate the reactivity in each ATom air parcel. Reweighting parcels with loss of CH4 or production of O3, for example, allows us to identify which air parcels are most influential, including assessment of the importance of fine pollution layers in the most remote troposphere. Another photochemical climatology developed from ATom, and used to test models, includes the effect of clouds on photolysis rates. The PDs and reactivity-weighted PDs reveal important seasonal differences and similarities between the two campaigns and also show which species may be most important in controlling reactivities. They clearly identify some very specific failings in the modeled climatologies and help us evaluate the chemical importance of fine-scale laminae with distinct chemical composition that are beyond model simulations.

Thermodynamic data for biomass conversion and waste incineration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Domalski, E.S.; Jobe, T.L. Jr; Milne, T.A.

1986-09-01

The general purpose of this collection of thermodynamic data of selected materials is to make property information available to the engineering community on chemical mixtures, polymers, composite materials, solid wastes, biomass, and materials not easily identifiable by a single stoichiometric formula. More than 700 materials have been compiled covering properties such as specific heat, gross heat of combustion, heat of fusion, heat of vaporization, and vapor pressure. The information was obtained from the master files of the NBS Chemical Thermodynamics Data Center, the annual issues of the Bulletin of Chemical Thermodynamics, intermittent examinations of the Chemical Abstracts subject indexes, individualmore » articles by various authors, and other general reference sources. The compilation is organized into several broad categories; materials are listed alphabetically within each category. For each material, the physical state, information as to the composition or character of the material, the kind of thermodynamic property reported, the specific property values for the material, and citations to the reference list are given. In addition, appendix A gives an empirical formula that allows heats of combustion of carbonaceous materials to be predicted with surprising accuracy when the elemental composition is known. A spread sheet illustrates this predictability with examples from this report and elsewhere. Appendix B lists some reports containing heats of combustion not included in this publication. Appendix C contains symbols, units, conversion factors, and atomic weights used in evaluating and compiling the thermodynamic data.« less

Atomic-level imaging, processing and characterization of semiconductor surfaces

DOEpatents

Kazmerski, Lawrence L.

1995-01-01

A method for selecting and removing single specific atoms from a solid material surface uses photon biasing to break down bonds that hold the selected atom in the lattice and to reduce barrier effects that hold the atom from transferring to a probe. The photon bias is preferably light or other electromagnetic radiation with a wavelength and frequency that approximately matches the wave function of the target atom species to be removed to induce high energy, selective thermionic-like vibration. An electric field potential is then applied between the probe and the surface of the solid material to pull the atom out of the lattice and to transfer the atom to the probe. Different extrinsic atoms can be installed in the lattice sites that are vacated by the removed atoms by using a photon bias that resonates the extrinsic atom species, reversing polarity of the electric field, and blowing gas comprising the extrinsic atoms through a hollow catheter probe.

Atomic-level imaging, processing and characterization of semiconductor surfaces

DOEpatents

Kazmerski, L.L.

1995-08-22

A method for selecting and removing single specific atoms from a solid material surface uses photon biasing to break down bonds that hold the selected atom in the lattice and to reduce barrier effects that hold the atom from transferring to a probe. The photon bias is preferably light or other electromagnetic radiation with a wavelength and frequency that approximately matches the wave function of the target atom species to be removed to induce high energy, selective thermionic-like vibration. An electric field potential is then applied between the probe and the surface of the solid material to pull the atom out of the lattice and to transfer the atom to the probe. Different extrinsic atoms can be installed in the lattice sites that are vacated by the removed atoms by using a photon bias that resonates the extrinsic atom species, reversing polarity of the electric field, and blowing gas comprising the extrinsic atoms through a hollow catheter probe. 8 figs.

Flameless atomic-absorption determination of gold in geological materials

USGS Publications Warehouse

Meier, A.L.

1980-01-01

Gold in geologic material is dissolved using a solution of hydrobromic acid and bromine, extracted with methyl isobutyl ketone, and determined using an atomic-absorption spectrophotometer equipped with a graphite furnace atomizer. A comparison of results obtained by this flameless atomic-absorption method on U.S. Geological Survey reference rocks and geochemical samples with reported values and with results obtained by flame atomic-absorption shows that reasonable accuracy is achieved with improved precision. The sensitivity, accuracy, and precision of the method allows acquisition of data on the distribution of gold at or below its crustal abundance. ?? 1980.

The Vertex Version of Weighted Wiener Number for Bicyclic Molecular Structures

PubMed Central

Gao, Wei

2015-01-01

Graphs are used to model chemical compounds and drugs. In the graphs, each vertex represents an atom of molecule and edges between the corresponding vertices are used to represent covalent bounds between atoms. We call such a graph, which is derived from a chemical compound, a molecular graph. Evidence shows that the vertex-weighted Wiener number, which is defined over this molecular graph, is strongly correlated to both the melting point and boiling point of the compounds. In this paper, we report the extremal vertex-weighted Wiener number of bicyclic molecular graph in terms of molecular structural analysis and graph transformations. The promising prospects of the application for the chemical and pharmacy engineering are illustrated by theoretical results achieved in this paper. PMID:26640513

Simulation of the synergistic low Earth orbit effects of vacuum thermal cycling, vacuum UV radiation, and atomic oxygen

NASA Technical Reports Server (NTRS)

Dever, Joyce A.; Degroh, Kim K.; Stidham, Curtis R.; Stueber, Thomas J.; Dever, Therese M.; Rodriguez, Elvin; Terlep, Judith A.

1992-01-01

In order to assess the low Earth orbit (LEO) durability of candidate space materials, it is necessary to use ground laboratory facilities which provide LEO environmental effects. A facility combining vacuum thermal cycling and vacuum ultraviolet (VUV) radiation has been designed and constructed at NASA Lewis Research Center for this purpose. This facility can also be operated without the VUV lamps. An additional facility can be used to provide VUV exposure only. By utilizing these facilities, followed by atomic oxygen exposure in an RF plasma asher, the effects of the individual vacuum thermal cycling and VUV environments can be compared to the effect of the combined vacuum thermal cycling/VUV environment on the atomic oxygen durability of materials. The synergistic effects of simulated LEO environmental conditions on materials were evaluated by first exposing materials to vacuum thermal cycling, VUV, and vacuum thermal cycling/VUV environments followed by exposure to atomic oxygen in an RP plasma asher. Candidate space power materials such as atomic oxygen protected polyimides and solar concentrator mirrors were evaluated using these facilities. Characteristics of the Vacuum Thermal Cycling/VUV Exposure Facility which simulates the temperature sequences and solar ultraviolet radiation exposure that would be experienced by a spacecraft surface in LEO are discussed. Results of durability evaluations of some candidate space power materials to the simulated LEO environmental conditions will also be discussed. Such results have indicated that for some materials, atomic oxygen durability is affected by previous exposure to thermal cycling and/or VUV exposure.

Biocompatibility of modified ultra-high-molecular-weight polyethylene

NASA Astrophysics Data System (ADS)

Novotná, Z.; Lacmanová, V.; Rimpelová, S.; Juřik, P.; Polívková, M.; Å vorčik, V.

2016-09-01

Ultra-high-molecular-weight polyethylene (UHMWPE, PE) is a synthetic polymer used for biomedical applications because of its high impact resistance, ductility and stability in contact with physiological fluids. Therefore this material is being used in human orthopedic implants such as total joint replacements. Surface modification of this material relates to changes of its surface hydrophilicity, energy, microstructure, roughness, and morphology, all influencing its biological response. In our recent work, PE was treated by an Ar+ plasma discharge and then grafted with biologically active polyethylene glycol in order to enhance adhesion and proliferation of mouse fibroblast (L929). The surface properties of pristine PE and its grafted counterparts were studied by goniometry (surface wettability). Furthermore, Atomic Force Microscopy was used to determine the surface morphology and roughness. The biological response of the L929 cell lines seeded on untreated and plasma treated PE matrices was quantified in terms of the cell adhesion, density, and metabolic activity. Plasma treatment leads to the ablation of the polymer surface layers. Plasma treatment and subsequent poly(ethylene glycol) grafting lead to dramatic changes in the polymer surface morphology and roughness. Biological tests, performed in vitro, show increased adhesion and proliferation of cells on modified polymers. Grafting with poly(ethylene glycol) increases cell proliferation compared to plasma treatment.

Atomic Oxygen Textured Polymers

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Rutledge, Sharon K.; Hunt, Jason D.; Drobotij, Erin; Cales, Michael R.; Cantrell, Gidget

1995-01-01

Atomic oxygen can be used to microscopically alter the surface morphology of polymeric materials in space or in ground laboratory facilities. For polymeric materials whose sole oxidation products are volatile species, directed atomic oxygen reactions produce surfaces of microscopic cones. However, isotropic atomic oxygen exposure results in polymer surfaces covered with lower aspect ratio sharp-edged craters. Isotropic atomic oxygen plasma exposure of polymers typically causes a significant decrease in water contact angle as well as altered coefficient of static friction. Such surface alterations may be of benefit for industrial and biomedical applications. The results of atomic oxygen plasma exposure of thirty-three (33) different polymers are presented, including typical morphology changes, effects on water contact angle, and coefficient of static friction.

Spin-Polarized Scanning Tunneling Microscope for Atomic-Scale Studies of Spin Transport, Spin Relaxation, and Magnetism in Graphene

DTIC Science & Technology

2017-11-09

to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a long-term effort...devices, our goal is to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a... correlate the change in transport with the atomic structure of hydrogen-doped graphene, we subsequently use the STM to investigate the graphene

Design of a Permanent-Magnet Zeeman Slower

NASA Astrophysics Data System (ADS)

Adler, Charles; Narducci, Frank; Sukenik, Charles; Mulholland, Jonathan; Goodale, Sarah

2006-05-01

During the past decade, low cost, flexible, and highly-polarized magnetic field sheet material has become available with field strengths useful for applications in modern atomic physics experiments. One advantage of using such material is that it can easily be cut to almost any desired shape without appreciable loss of field strength making it more versatile than ceramic magnets. We present the design of a Zeeman slower, made from such material, for cooling an atomic beam of neutral rubidium atoms and discuss results from an atomic beam trajectory simulation which indicates that the slower should perform well. We will also report on progress of a prototype permanent magnet Zeeman slower presently under construction in the laboratory.

Atomic scale dynamics of a solid state chemical reaction directly determined by annular dark-field electron microscopy.

PubMed

Pennycook, Timothy J; Jones, Lewys; Pettersson, Henrik; Coelho, João; Canavan, Megan; Mendoza-Sanchez, Beatriz; Nicolosi, Valeria; Nellist, Peter D

2014-12-22

Dynamic processes, such as solid-state chemical reactions and phase changes, are ubiquitous in materials science, and developing a capability to observe the mechanisms of such processes on the atomic scale can offer new insights across a wide range of materials systems. Aberration correction in scanning transmission electron microscopy (STEM) has enabled atomic resolution imaging at significantly reduced beam energies and electron doses. It has also made possible the quantitative determination of the composition and occupancy of atomic columns using the atomic number (Z)-contrast annular dark-field (ADF) imaging available in STEM. Here we combine these benefits to record the motions and quantitative changes in the occupancy of individual atomic columns during a solid-state chemical reaction in manganese oxides. These oxides are of great interest for energy-storage applications such as for electrode materials in pseudocapacitors. We employ rapid scanning in STEM to both drive and directly observe the atomic scale dynamics behind the transformation of Mn3O4 into MnO. The results demonstrate we now have the experimental capability to understand the complex atomic mechanisms involved in phase changes and solid state chemical reactions.

41 CFR 50-204.34 - AEC licensees-AEC contractors operating AEC plants and facilities-AEC agreement State licensees...

Code of Federal Regulations, 2014 CFR

2014-07-01

... material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Atomic Energy Commission and in accordance with the requirements of 10 CFR part 20... contract with the Atomic Energy Commission for the operation of AEC plants and facilities and in accordance...

41 CFR 50-204.34 - AEC licensees-AEC contractors operating AEC plants and facilities-AEC agreement State licensees...

Code of Federal Regulations, 2013 CFR

2013-07-01

... material, or special nuclear material, as defined in the Atomic Energy Act of 1954, as amended, under a license issued by the Atomic Energy Commission and in accordance with the requirements of 10 CFR part 20... contract with the Atomic Energy Commission for the operation of AEC plants and facilities and in accordance...

Crystalline boron nitride aerogels

DOEpatents

Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.; Mickelson, William; Worsley, Marcus A.; Woo, Leta

2017-04-04

This disclosure provides methods and materials related to boron nitride aerogels. In one aspect, a material comprises an aerogel comprising boron nitride. The boron nitride has an ordered crystalline structure. The ordered crystalline structure may include atomic layers of hexagonal boron nitride lying on top of one another, with atoms contained in a first layer being superimposed on atoms contained in a second layer.

Strategy for designing stable and powerful nitrogen-rich high-energy materials by introducing boron atoms.

PubMed

Wu, Wen-Jie; Chi, Wei-Jie; Li, Quan-Song; Li, Ze-Sheng

2017-06-01

One of the most important aims in the development of high-energy materials is to improve their stability and thus ensure that they are safe to manufacture and transport. In this work, we theoretically investigated open-chain N 4 B 2 isomers using density functional theory in order to find the best way of stabilizing nitrogen-rich molecules. The results show that the boron atoms in these isomers are aligned linearly with their neighboring atoms, which facilitates close packing in the crystals of these materials. Upon comparing the energies of nine N 4 B 2 isomers, we found that the structure with alternating N and B atoms had the lowest energy. Structures with more than one nitrogen atom between two boron atoms had higher energies. The energy of N 4 B 2 increases by about 50 kcal/mol each time it is rearranged to include an extra nitrogen atom between the two boron atoms. More importantly, our results also show that boron atoms stabilize nitrogen-rich molecules more efficiently than carbon atoms do. Also, the combustion of any isomer of N 4 B 2 releases more heat than the corresponding isomer of N 4 C 2 does under well-oxygenated conditions. Our study suggests that the three most stable N 4 B 2 isomers (BN13, BN24, and BN34) are good candidates for high-energy molecules, and it outlines a new strategy for designing stable boron-containing high-energy materials. Graphical abstract The structural characteristics, thermodynamic stabilities, and exothermic properties of nitrogen-rich N 4 B 2 isomers were investigated by means of density functional theory.

Collective dynamics and entanglement of two distant atoms embedded into single-negative index material.

PubMed

Fang, Wei; Li, Gao-Xiang; Yang, Yaping; Ficek, Zbigniew

2017-02-06

We study the dynamics of two two-level atoms embedded near to the interface of paired meta-material slabs, one of negative permeability and the other of negative permittivity. This combination generates a strong surface plasmon field at the interface between the meta-materials. It is found that the symmetric and antisymmetric modes of the two-atom system couple to the plasmonic field with different Rabi frequencies. Including the Ohmic losses of the materials we find that the Rabi frequencies exhibit threshold behaviour which distinguish between the non-Markovian (memory preserving) and Markovian (memoryless) regimes of the evolution. Moreover, it is found that significantly different dynamics occur for the resonant and an off-resonant couplings of the plasmon field to the atoms. In the case of the resonant coupling, the field does not appear as a dissipative reservoir to the atoms. We adopt the image method and show that the dynamics of the two atoms coupled to the plasmon field are analogous to the dynamics of a four-atom system in a rectangular configuration. A large and long living entanglement mediated by the plasmonic field in both Markovian and non-Markovian regimes of the evolution is predicted. We also show that a simultaneous Markovian and non-Markovian regime of the evolution may occur in which the memory effects exist over a finite evolution time. In the case of an off-resonant coupling of the atoms to the plasmon field, the atoms interact with each other by exchanging virtual photons which results in the dynamics corresponding to those of two atoms coupled to a common reservoir. In addition, the entanglement is significantly enhanced.

On Nb Silicide Based Alloys: Alloy Design and Selection.

PubMed

Tsakiropoulos, Panos

2018-05-18

The development of Nb-silicide based alloys is frustrated by the lack of composition-process-microstructure-property data for the new alloys, and by the shortage of and/or disagreement between thermodynamic data for key binary and ternary systems that are essential for designing (selecting) alloys to meet property goals. Recent publications have discussed the importance of the parameters δ (related to atomic size), Δχ (related to electronegativity) and valence electron concentration (VEC) (number of valence electrons per atom filled into the valence band) for the alloying behavior of Nb-silicide based alloys (J Alloys Compd 748 (2018) 569), their solid solutions (J Alloys Compd 708 (2017) 961), the tetragonal Nb₅Si₃ (Materials 11 (2018) 69), and hexagonal C14-NbCr₂ and cubic A15-Nb₃X phases (Materials 11 (2018) 395) and eutectics with Nb ss and Nb₅Si₃ (Materials 11 (2018) 592). The parameter values were calculated using actual compositions for alloys, their phases and eutectics. This paper is about the relationships that exist between the alloy parameters δ, Δχ and VEC, and creep rate and isothermal oxidation (weight gain) and the concentrations of solute elements in the alloys. Different approaches to alloy design (selection) that use property goals and these relationships for Nb-silicide based alloys are discussed and examples of selected alloy compositions and their predicted properties are given. The alloy design methodology, which has been called NICE (Niobium Intermetallic Composite Elaboration), enables one to design (select) new alloys and to predict their creep and oxidation properties and the macrosegregation of Si in cast alloys.

On Nb Silicide Based Alloys: Alloy Design and Selection

PubMed Central

Tsakiropoulos, Panos.

2018-01-01

The development of Nb-silicide based alloys is frustrated by the lack of composition-process-microstructure-property data for the new alloys, and by the shortage of and/or disagreement between thermodynamic data for key binary and ternary systems that are essential for designing (selecting) alloys to meet property goals. Recent publications have discussed the importance of the parameters δ (related to atomic size), Δχ (related to electronegativity) and valence electron concentration (VEC) (number of valence electrons per atom filled into the valence band) for the alloying behavior of Nb-silicide based alloys (J Alloys Compd 748 (2018) 569), their solid solutions (J Alloys Compd 708 (2017) 961), the tetragonal Nb5Si3 (Materials 11 (2018) 69), and hexagonal C14-NbCr2 and cubic A15-Nb3X phases (Materials 11 (2018) 395) and eutectics with Nbss and Nb5Si3 (Materials 11 (2018) 592). The parameter values were calculated using actual compositions for alloys, their phases and eutectics. This paper is about the relationships that exist between the alloy parameters δ, Δχ and VEC, and creep rate and isothermal oxidation (weight gain) and the concentrations of solute elements in the alloys. Different approaches to alloy design (selection) that use property goals and these relationships for Nb-silicide based alloys are discussed and examples of selected alloy compositions and their predicted properties are given. The alloy design methodology, which has been called NICE (Niobium Intermetallic Composite Elaboration), enables one to design (select) new alloys and to predict their creep and oxidation properties and the macrosegregation of Si in cast alloys. PMID:29783707

Atomic scale imaging of magnetic circular dichroism by achromatic electron microscopy.

PubMed

Wang, Zechao; Tavabi, Amir H; Jin, Lei; Rusz, Ján; Tyutyunnikov, Dmitry; Jiang, Hanbo; Moritomo, Yutaka; Mayer, Joachim; Dunin-Borkowski, Rafal E; Yu, Rong; Zhu, Jing; Zhong, Xiaoyan

2018-03-01

In order to obtain a fundamental understanding of the interplay between charge, spin, orbital and lattice degrees of freedom in magnetic materials and to predict and control their physical properties 1-3 , experimental techniques are required that are capable of accessing local magnetic information with atomic-scale spatial resolution. Here, we show that a combination of electron energy-loss magnetic chiral dichroism 4 and chromatic-aberration-corrected transmission electron microscopy, which reduces the focal spread of inelastically scattered electrons by orders of magnitude when compared with the use of spherical aberration correction alone, can achieve atomic-scale imaging of magnetic circular dichroism and provide element-selective orbital and spin magnetic moments atomic plane by atomic plane. This unique capability, which we demonstrate for Sr 2 FeMoO 6 , opens the door to local atomic-level studies of spin configurations in a multitude of materials that exhibit different types of magnetic coupling, thereby contributing to a detailed understanding of the physical origins of magnetic properties of materials at the highest spatial resolution.

Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy

PubMed Central

Stetsovych, Oleksandr; Todorović, Milica; Shimizu, Tomoko K.; Moreno, César; Ryan, James William; León, Carmen Pérez; Sagisaka, Keisuke; Palomares, Emilio; Matolín, Vladimír; Fujita, Daisuke; Perez, Ruben; Custance, Oscar

2015-01-01

Anatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), supported by first-principles calculations, for the simultaneous imaging and unambiguous identification of atomic species at the (101) anatase surface. We demonstrate that dynamic AFM-STM operation allows atomic resolution imaging within the material's band gap. Based on key distinguishing features extracted from calculations and experiments, we identify candidates for the most common surface defects. Our results pave the way for the understanding of surface processes, like adsorption of metal dopants and photoactive molecules, that are fundamental for the catalytic and photovoltaic applications of anatase, and demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap materials. PMID:26118408

Investigations into the mechanism of material removal and surface modification at atomic scale on stainless steel using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Ranjan, Prabhat; Balasubramaniam, R.; Jain, V. K.

2018-06-01

A molecular dynamics simulation (MDS) has been carried out to investigate the material removal phenomenon of chemo-mechanical magnetorheological finishing (CMMRF) process. To understand the role of chemical assisted mechanical abrasion in CMMRF process, material removal phenomenon is subdivided into three different stages. In the first stage, new atomic bonds viz. Fe-O-Si is created on the surface of the workpiece (stainless steel). The second stage deals with the rupture of parent bonds like Fe-Fe on the workpiece. In the final stage, removal of material from the surface in the form of dislodged debris (cluster of atoms) takes place. Effects of process parameters like abrasive particles, depth of penetration and initial surface condition on finishing force, potential energy (towards secondary phenomenon such as chemical instability of the finished surface) and material removal at atomic scale have been investigated. It was observed that the type of abrasive particle is one of the important parameters to produce atomically smooth surface. Experiments were also conducted as per the MDS to generate defect-free and sub-nanometre-level finished surface (Ra value better than 0.2 nm). The experimental results reasonably agree well with the simulation results.

The structure and properties of a nickel-base superalloy produced by osprey atomization-deposition

NASA Astrophysics Data System (ADS)

Bricknell, Rodger H.

1986-04-01

The production of a nickel-base superalloy, René* 80, by the Osprey atomization-deposition process has been investigated. Dense (>99 pct) material with a fine-grained equiaxed microstructure was deposited using either argon or nitrogen as the atomizing gas. Defects present in the material included a chill region at the collector plate interface, entrapped recirculated particles, porosity, and ceramic particles from the melting and dispensing system. In contrast to other rapid solidification techniques, low oxygen pick-ups are noted in the current technique. Tensile strengths above those displayed by castings are found in both nitrogen and argon atomized material, and in both the as-deposited and heat treated conditions. In addition, no profound mid-temperature ductility loss is displayed by this low oxygen material, in contrast to results on other rapidly solidified material with high oxygen contents. These results are explained in terms of oxygen embrittlement. In view of the excellent properties measured, the attractive economics of the process, and the fact that fine control of the gas/metal flow ratio is shown to be unnecessary, it is concluded that atomization-deposition presents an attractive potential production route for advanced alloys.

The transition of ground-based space environmental effects testing to the space environment

NASA Technical Reports Server (NTRS)

Zaat, Stephen V.; Schaefer, Glen A.; Wallace, John F.

1991-01-01

The goal of the space flight program at the Center for Commercial Development of Space (CCDS)--Materials for Space Structures is to provide environmentally stable structural materials to support the continued humanization and commercialization of the space frontier. Information on environmental stability will be obtained through space exposure, evaluation, documentation, and subsequent return to the supplier of the candidate material for internal investigation. This program provides engineering and scientific service to space systems development firms and also exposes CCDS development candidate materials to space environments representative of in-flight conditions. The maintenance of a technological edge in space for NASA suggests the immediate search for space materials that maintain their structural integrity and remain environmentally stable. The materials being considered for long-lived space structures are complex, high strength/weight ratio composites. In order for these new candidate materials to qualify for use in space structures, they must undergo strenuous testing to determine their reliability and stability when subjected to the space environment. Ultraviolet radiation, atomic oxygen, debris/micrometeoroids, charged particles radiation, and thermal fatigue all influence the design of space structural materials. The investigation of these environmental interactions is the key purpose of this center. Some of the topics discussed with respect to the above information include: the Space Transportation System, mission planning, spaceborne experiments, and space flight payloads.

Electroless atomic layer deposition

DOEpatents

Robinson, David Bruce; Cappillino, Patrick J.; Sheridan, Leah B.; Stickney, John L.; Benson, David M.

2017-10-31

A method of electroless atomic layer deposition is described. The method electrolessly generates a layer of sacrificial material on a surface of a first material. The method adds doses of a solution of a second material to the substrate. The method performs a galvanic exchange reaction to oxidize away the layer of the sacrificial material and deposit a layer of the second material on the surface of the first material. The method can be repeated for a plurality of iterations in order to deposit a desired thickness of the second material on the surface of the first material.

Evaluation of Oxygen Interactions with Materials 3: Mission and induced environments

NASA Technical Reports Server (NTRS)

Koontz, Steven L.; Leger, Lubert J.; Rickman, Steven L.; Hakes, Charles L.; Bui, David T.; Hunton, Donald; Cross, Jon B.

1995-01-01

The Evaluation of Oxygen Interactions with Materials 3 (EOIM-3) flight experiment was developed to obtain benchmark atomic oxygen/material reactivity data. The experiment was conducted during Space Shuttle mission 46 (STS-46), which flew July 31 to August 7, 1992. Quantitative interpretation of the materials reactivity measurements requires a complete and accurate definition of the space environment exposure, including the thermal history of the payload, the solar ultraviolet exposure, the atomic oxygen fluence, and any spacecraft outgassing contamination effects. The thermal history of the payload was measured using twelve thermocouple sensors placed behind selected samples and on the EOIM-3 payload structure. The solar ultraviolet exposure history of the EOIM-3 payload was determined by analysis of the as-flown orbit and vehicle attitude combined with daily average solar ultraviolet and vacuum ultraviolet (UV/VUV) fluxes. The atomic oxygen fluence was assessed in three different ways. First, the O-atom fluence was calculated using a program that incorporates the MSIS-86 atmospheric model, the as-flown Space Shuttle trajectory, and solar activity parameters. Second, the oxygen atom fluence was estimated directly from Kapton film erosion. Third, ambient oxygen atom measurements were made using the quadrupole mass spectrometer on the EOIM-3 payload. Our best estimate of the oxygen atom fluence as of this writing is 2.3 +/- 0.3 x 10(exp 20) atoms/sq cm. Finally, results of post-flight X-ray photoelectron spectroscopy (XPS) surface analyses of selected samples indicate low levels of contamination on the payload surface.

Performance of carbon material derived from starch mixed with flame retardant as electrochemical capacitor

NASA Astrophysics Data System (ADS)

Tsubota, Toshiki; Morita, Masaki; Murakami, Naoya; Ohno, Teruhisa

2014-12-01

Carbon materials derived from starch with an added flame retardant, such as melamine polyphosphate, melamine sulfate, guanylurea phosphate, or guanidine phosphate, were synthesized for investigating the performance as the electrode of an electrochemical capacitor. The yield after the heat treatment of the carbonization reaction increased by the addition of these flame retardants up to 800 °C. Although both the specific surface area and electrical resistivity are almost independent of the addition of the flame retardants, the capacitance values are improved with the addition of the flame retardants. The nitrogen atoms derived from the flame retardants are introduced to some extent into the synthesized carbon material. Moreover, the phosphorous atoms or the sulfur atoms derived from the flame retardants are doped into the synthesized carbon material. The method applied in this study, that is, the addition of flame retardants before the carbonization process can be used for the doping of the hetero atom such as N, P and S into the carbon material.

A Method to Estimate the Atomic Number and Mass Thickness of Intervening Materials in Uranium and Plutonium Gamma-Ray Spectroscopy Measurements

NASA Astrophysics Data System (ADS)

Streicher, Michael; Brown, Steven; Zhu, Yuefeng; Goodman, David; He, Zhong

2016-10-01

To accurately characterize shielded special nuclear materials (SNM) using passive gamma-ray spectroscopy measurement techniques, the effective atomic number and the thickness of shielding materials must be measured. Intervening materials between the source and detector may affect the estimated source isotopics (uranium enrichment and plutonium grade) for techniques which rely on raw count rates or photopeak ratios of gamma-ray lines separated in energy. Furthermore, knowledge of the surrounding materials can provide insight regarding the configuration of a device containing SNM. The described method was developed using spectra recorded using high energy resolution CdZnTe detectors, but can be expanded to any gamma-ray spectrometers with energy resolution of better than 1% FWHM at 662 keV. The effective atomic number, Z, and mass thickness of the intervening shielding material are identified by comparing the relative attenuation of different gamma-ray lines and estimating the proportion of Compton scattering interactions to photoelectric absorptions within the shield. While characteristic Kα x-rays can be used to identify shielding materials made of high Z elements, this method can be applied to all shielding materials. This algorithm has adequately estimated the effective atomic number for shields made of iron, aluminum, and polyethylene surrounding uranium samples using experimental data. The mass thicknesses of shielding materials have been estimated with a standard error of less than 1.3 g/cm2 for iron shields up to 2.5 cm thick. The effective atomic number was accurately estimated to 26 ± 5 for all iron thicknesses.

Characteristics of Au Migration and Concentration Distributions in Au-Doped HgCdTe LPE Materials

NASA Astrophysics Data System (ADS)

Sun, Quanzhi; Yang, Jianrong; Wei, Yanfeng; Zhang, Juan; Sun, Ruiyun

2015-08-01

Annealing techniques and secondary ion mass spectrometry have been used to study the characteristics of Au migration and concentration distributions in HgCdTe materials grown by liquid phase epitaxy. Secondary ion mass spectrometry measurements showed that Au concentrations had obvious positive correlations with Hg-vacancy concentration and dislocation density of the materials. Au atoms migrate toward regions of high Hg-vacancy concentration or move away from these regions when the Hg-vacancy concentration decreases during annealing. The phenomenon can be explained by defect chemical equilibrium theory if Au atoms have a very large migration velocity compared with Hg vacancies. Au atoms will also migrate toward regions of high dislocation density, leading to a peak concentration in the inter-diffusion region of HgCdTe materials near the substrate. By use of an Hg and Te-rich annealing technique, different concentration distributions of both Au atoms and Hg vacancies in HgCdTe materials were obtained, indicating that Au-doped HgCdTe materials can be designed and prepared to satisfy the requirements of HgCdTe devices.

Investigation of the abnormal Zn diffusion phenomenon in III-V compound semiconductors induced by the surface self-diffusion of matrix atoms

NASA Astrophysics Data System (ADS)

Tang, Liangliang; Xu, Chang; Liu, Zhuming

2017-01-01

Zn diffusion in III-V compound semiconductorsare commonly processed under group V-atoms rich conditions because the vapor pressure of group V-atoms is relatively high. In this paper, we found that group V-atoms in the diffusion sources would not change the shaped of Zn profiles, while the Zn diffusion would change dramatically undergroup III-atoms rich conditions. The Zn diffusions were investigated in typical III-V semiconductors: GaAs, GaSb and InAs. We found that under group V-atoms rich or pure Zn conditions, the double-hump Zn profiles would be formed in all materials except InAs. While under group III-atoms rich conditions, single-hump Zn profiles would be formed in all materials. Detailed diffusion models were established to explain the Zn diffusion process; the surface self-diffusion of matrix atoms is the origin of the abnormal Zn diffusion phenomenon.

Determination of gold in geologic materials by solvent extraction and atomic-absorption spectrometry

USGS Publications Warehouse

Huffman, Claude; Mensik, J.D.; Riley, L.B.

1967-01-01

The two methods presented for the determination of traces of gold in geologic materials are the cyanide atomic-absorption method and the fire-assay atomic-absorption method. In the cyanide method gold is leached with a sodium-cyanide solution. The monovalent gold is then oxidized to the trivalent state and concentrated by extracting into methyl isobutyl ketone prior to estimation by atomic absorption. In the fire-assay atomic-absorption method, the gold-silver bead obtained from fire assay is dissolved in nitric and hydrochloric acids. Gold is then concentrated by extracting into methyl isobutyl ketone prior to determination by atomic absorption. By either method concentrations as low as 50 parts per billion of gold can be determined in a 15-gram sample.

Photon absorption potential coefficient as a tool for materials engineering

NASA Astrophysics Data System (ADS)

Akande, Raphael Oluwole; Oyewande, Emmanuel Oluwole

2016-09-01

Different atoms achieve ionizations at different energies. Therefore, atoms are characterized by different responses to photon absorption in this study. That means there exists a coefficient for their potential for photon absorption from a photon source. In this study, we consider the manner in which molecular constituents (atoms) absorb photon from a photon source. We observe that there seems to be a common pattern of variation in the absorption of photon among the electrons in all atoms on the periodic table. We assume that the electrons closest to the nucleus (En) and the electrons closest to the outside of the atom (Eo) do not have as much potential for photon absorption as the electrons at the middle of the atom (Em). The explanation we give to this effect is that the En electrons are embedded within the nuclear influence, and similarly, Eo electrons are embedded within the influence of energies outside the atom that there exists a low potential for photon absorption for them. Unlike En and Eo, Em electrons are conditioned, such that there is a quest for balance between being influenced either by the nuclear force or forces external to the atom. Therefore, there exists a higher potential for photon absorption for Em electrons than for En and Eo electrons. The results of our derivations and analysis always produce a bell-shaped curve, instead of an increasing curve as in the ionization energies, for all elements in the periodic table. We obtained a huge data of PAPC for each of the several materials considered. The point at which two or more PAPC values cross one another is termed to be a region of conflicting order of ionization, where all the atoms absorb equal portion of the photon source at the same time. At this point, a greater fraction of the photon source is pumped into the material which could lead to an explosive response from the material. In fact, an unimaginable and unreported phenomenon (in physics) could occur, when two or more PAPCs cross, and the material is able to absorb more than that the photon source could provide, at this point. These resulting effects might be of immense materials engineering applications.

Learning atoms for materials discovery.

PubMed

Zhou, Quan; Tang, Peizhe; Liu, Shenxiu; Pan, Jinbo; Yan, Qimin; Zhang, Shou-Cheng

2018-06-26

Exciting advances have been made in artificial intelligence (AI) during recent decades. Among them, applications of machine learning (ML) and deep learning techniques brought human-competitive performances in various tasks of fields, including image recognition, speech recognition, and natural language understanding. Even in Go, the ancient game of profound complexity, the AI player has already beat human world champions convincingly with and without learning from the human. In this work, we show that our unsupervised machines (Atom2Vec) can learn the basic properties of atoms by themselves from the extensive database of known compounds and materials. These learned properties are represented in terms of high-dimensional vectors, and clustering of atoms in vector space classifies them into meaningful groups consistent with human knowledge. We use the atom vectors as basic input units for neural networks and other ML models designed and trained to predict materials properties, which demonstrate significant accuracy. Copyright © 2018 the Author(s). Published by PNAS.

Atomic scale study of the life cycle of a dislocation in graphene from birth to annihilation

NASA Astrophysics Data System (ADS)

Lehtinen, O.; Kurasch, S.; Krasheninnikov, A. V.; Kaiser, U.

2013-06-01

Dislocations, one of the key entities in materials science, govern the properties of any crystalline material. Thus, understanding their life cycle, from creation to annihilation via motion and interaction with other dislocations, point defects and surfaces, is of fundamental importance. Unfortunately, atomic-scale investigations of dislocation evolution in a bulk object are well beyond the spatial and temporal resolution limits of current characterization techniques. Here we overcome the experimental limits by investigating the two-dimensional graphene in an aberration-corrected transmission electron microscope, exploiting the impinging energetic electrons both to image and stimulate atomic-scale morphological changes in the material. The resulting transformations are followed in situ, atom-by-atom, showing the full life cycle of a dislocation from birth to annihilation. Our experiments, combined with atomistic simulations, reveal the evolution of dislocations in two-dimensional systems to be governed by markedly long-ranging out-of-plane buckling.

Atom Probe Tomography Analysis of Ag Doping in 2D Layered Material (PbSe) 5(Bi 2Se 3) 3

DOE PAGES

Ren, Xiaochen; Singh, Arunima K.; Fang, Lei; ...

2016-09-07

Impurity doping in two-dimensional (2D) materials can provide a route to tuning electronic properties, so it is important to be able to determine the distribution of dopant atoms within and between layers. Here we report the totnographic mapping of dopants in layered 2D materials with atomic sensitivity and subnanometer spatial resolution using atom, probe tomography (APT). Also, APT analysis shows that Ag dopes both Bi 2Se 3 and PbSe layers in (PbSe) 5(Bi 2Se 3) 3, and correlations :in the position of Ag atoms suggest a pairing across neighboring Bi 2Se 3 and PbSe layers. Finally, density functional theory (DFT)more » calculations confirm the favorability of substitutional-doping for both Pb and Bi and provide insights into the,observed spatial correlations in dopant locations.« less

Next Generation JPL Ultra-Stable Trapped Ion Atomic Clocks

NASA Technical Reports Server (NTRS)

Burt, Eric; Tucker, Blake; Larsen, Kameron; Hamell, Robert; Tjoelker, Robert

2013-01-01

Over the past decade, trapped ion atomic clock development at the Jet Propulsion Laboratory (JPL) has focused on two directions: 1) new atomic clock technology for space flight applications that require strict adherence to size, weight, and power requirements, and 2) ultra-stable atomic clocks, usually for terrestrial applications emphasizing ultimate performance. In this paper we present a new ultra-stable trapped ion clock designed, built, and tested in the second category. The first new standard, L10, will be delivered to the Naval Research Laboratory for use in characterizing DoD space clocks.

High intensity 5 eV O-atom exposure facility for material degradation studies

NASA Technical Reports Server (NTRS)

Cross, J. B.; Spangler, L. H.; Hoffbauer, M. A.; Archuleta, F. A.; Leger, Lubert; Visentine, James; Hunton, Don E.; Cross, J. B.

1986-01-01

An atomic oxygen exposure facility was developed for studies of material degradation. The goal of these studies is to provide design criteria and information for the manufacture of long life (20 to 30 years) construction materials for use in low Earth orbit. The studies that are being undertaken will provide: (1) absolute reaction cross sections for the engineering design problems, (2) formulations of reaction mechanisms for use in the selection of suitable existing materials and the design of new more resistant ones, and (3) the calibration of flight hardware (mass spectrometers, etc.) in order to directly relate experiments performed in low Earth orbit to ground based investigations. The facility consists of a CW laser sustained discharge source of O-atoms, an atomic beam formation and diagnostics system, a spinning rotor viscometer, and provision for using the system for calibration of actual flight instruments.

Method for preparing ultraflat, atomically perfect areas on large regions of a crystal surface by heteroepitaxy deposition

DOEpatents

El Gabaly, Farid; Schmid, Andreas K.

2013-03-19

A novel method of forming large atomically flat areas is described in which a crystalline substrate having a stepped surface is exposed to a vapor of another material to deposit a material onto the substrate, which material under appropriate conditions self arranges to form 3D islands across the substrate surface. These islands are atomically flat at their top surface, and conform to the stepped surface of the substrate below at the island-substrate interface. Thereafter, the deposited materials are etched away, in the etch process the atomically flat surface areas of the islands transferred to the underlying substrate. Thereafter the substrate may be cleaned and annealed to remove any remaining unwanted contaminants, and eliminate any residual defects that may have remained in the substrate surface as a result of pre-existing imperfections of the substrate.

An experimental investigation of fractionation by sputter deposition. [application to solar wind irradiation of lunar soil

NASA Technical Reports Server (NTRS)

Paruso, D. M.; Cassidy, W. A.; Hapke, B. W.

1978-01-01

Artificial glass targets composed of elements varying widely in atomic weight were irradiated at an angle of incidence of 45 deg by 2-keV hydrogen ions at a current density of .33 mA/sq cm, and sputtered atoms were caught on a molybdenum film. Analyses of the sputter-deposited films and unsputtered target glasses were carried out by electron microprobe. The backward-sputtered component was found to be enriched in elements of low atomic weight, while the forward-sputtered component was enriched in heavy atoms. These results indicate that at the lunar surface lighter elements and isotopes would tend to be ejected in backward directions, escaping directly through the openings which admit bombarding ions without first striking an adjacent grain surface; heavy elements and isotopes would be forward-sputtered deeper into the soil and be preferentially retained, contributing to the reported enrichments of heavy elements and isotopes. Additional results show that the binding energy of an element in its oxide form influences the sticking coefficient of a sputtered atom; elements of low binding energy are likely to desorb, while elements of high binding energy tend to stick to the first bounce surface.

Theoretical discovery of stable structures of group III-V monolayers: The materials for semiconductor devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suzuki, Tatsuo, E-mail: dr.tatsuosuzuki@gmail.com

Group III-V compounds are very important as the materials of semiconductor devices. Stable structures of the monolayers of group III-V binary compounds have been discovered by using first-principles calculations. The primitive unit cell of the discovered structures is a rectangle, which includes four group-III atoms and four group-V atoms. A group-III atom and its three nearest-neighbor group-V atoms are placed on the same plane; however, these connections are not the sp{sup 2} hybridization. The bond angles around the group-V atoms are less than the bond angle of sp{sup 3} hybridization. The discovered structure of GaP is an indirect transition semiconductor,more » while the discovered structures of GaAs, InP, and InAs are direct transition semiconductors. Therefore, the discovered structures of these compounds have the potential of the materials for semiconductor devices, for example, water splitting photocatalysts. The discovered structures may become the most stable structures of monolayers which consist of other materials.« less

Ultrafine hydrogen storage powders

DOEpatents

Anderson, Iver E.; Ellis, Timothy W.; Pecharsky, Vitalij K.; Ting, Jason; Terpstra, Robert; Bowman, Robert C.; Witham, Charles K.; Fultz, Brent T.; Bugga, Ratnakumar V.

2000-06-13

A method of making hydrogen storage powder resistant to fracture in service involves forming a melt having the appropriate composition for the hydrogen storage material, such, for example, LaNi.sub.5 and other AB.sub.5 type materials and AB.sub.5+x materials, where x is from about -2.5 to about +2.5, including x=0, and the melt is gas atomized under conditions of melt temperature and atomizing gas pressure to form generally spherical powder particles. The hydrogen storage powder exhibits improved chemcial homogeneity as a result of rapid solidfication from the melt and small particle size that is more resistant to microcracking during hydrogen absorption/desorption cycling. A hydrogen storage component, such as an electrode for a battery or electrochemical fuel cell, made from the gas atomized hydrogen storage material is resistant to hydrogen degradation upon hydrogen absorption/desorption that occurs for example, during charging/discharging of a battery. Such hydrogen storage components can be made by consolidating and optionally sintering the gas atomized hydrogen storage powder or alternately by shaping the gas atomized powder and a suitable binder to a desired configuration in a mold or die.

77 FR 42483 - Application(s) for Duty-Free Entry of Scientific Instruments

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-19

... creating artificial nanoscale structures on an atom-by- atom basis using nascent atom manipulation techniques. The instrument will be used to investigate the amount of force required to move one atom on a materials surface while simultaneously measuring local electronic structural changes during atom movement...

Reporting of nitrogen-isotope abundances (Technical Report)

USGS Publications Warehouse

Coplen, Tyler B.; Krouse, H.R.; Böhlke, John Karl

1992-01-01

To eliminate possible confusion in the reporting of nitrogen-isotope analyses, the Commission on Atomic Weights and Isotopic Abundances recommends that the value 272 be employed for the 14N/15N value of N2 in air for calculating atom percent 15N from measured δ15N values.

Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Degroh, Kim K.; Auer, Bruce M.; Gebauer, Linda; Edwards, Jonathan L.

1993-01-01

Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) assists in understanding of the mechanisms involved. Thus the reliability of predicting in-space durability of materials based on ground laboratory testing should be improved. A computational model which simulates atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of an assumed mechanistic behavior of atomic oxygen interaction based on in-space atomic oxygen erosion of unprotected polymers and ground laboratory atomic oxygen interaction with protected polymers, prediction of atomic oxygen interaction with protected polymers on LDEF was accomplished. However, the results of these predictions are not consistent with the observed LDEF results at defect sites in protected polymers. Improved agreement between observed LDEF results and predicted Monte Carlo modeling can be achieved by modifying of the atomic oxygen interactive assumptions used in the model. LDEF atomic oxygen undercutting results, modeling assumptions, and implications are presented.

Comparison of subsurface damages on mono-crystalline silicon between traditional nanoscale machining and laser-assisted nanoscale machining via molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Dai, Houfu; Li, Shaobo; Chen, Genyu

2018-01-01

Molecular dynamics is employed to compare nanoscale traditional machining (TM) with laser-assisted machining (LAM). LAM is that the workpiece is locally heated by an intense laser beam prior to material removal. We have a comprehensive comparison between LAM and TM in terms of atomic trajectories, phase transformation, radial distribution function, chips, temperature distribution, number of atoms in different temperature, grinding temperature, grinding force, friction coefficient and atomic potential energy. It can be found that there is a decrease of atoms with five and six nearest neighbors, and LAM generates more chips than that in the TM. It indicates that LAM reduces the subsurface damage of workpiece, gets a better-qualified ground surface and improves the material removal rate. Moreover, laser energy makes the materials fully softened before being removed, the number of atoms with temperature above 500 K is increased, and the average temperature of workpiece higher and faster to reach the equilibrium in LAM. It means that LAM has an absolute advantage in machining materials and greatly reduces the material resistance. Not only the tangential force (Fx) and the normal force (Fy) but also friction coefficients become smaller as laser heating reduces the strength and hardness of the material in LAM. These results show that LAM is a promising technique since it can get a better-qualified workpiece surface with larger material removal rates, less grinding force and lower friction coefficient.

Environmentally friendly anti-icing

NASA Technical Reports Server (NTRS)

Zuk, John (Inventor); Haslim, Leonard A. (Inventor); Lockyer, Robert T. (Inventor)

1998-01-01

The present invention describes an aqueous, non-electrolytic, non-toxic, biodegradable, continuous single phase liquid anti-icing or deicing composition for use on the surfaces of, for example, aircraft, airport pavements, roadways, walkways, bridges, entrances, structures, canals, locks, components, vessels, nautical components, railroad switches, and motor vehicles. The anti-icing or deicing composition comprises: (a) water; (b) a non-toxic freezing point depressant selected from the group consisting of monohydric alcohols having from 2 to 6 carbon atoms, polyhydric alcohols having from 3 to 12 carbon atoms, monomethyl or ethyl ethers of polyhydric alcohols having from 3 to 12 atoms or mixtures thereof, wherein the freezing point depressant present is between about 14 to 60 percent by weight; (c) a thickener which is present in between about 0.01 and 10 percent by weight; and (d) optionally a corrosion inhibitor which is present in between about 0.01 and 0.1 percent by weight of the total composition. In one embodiment, the deicing composition further includes (e) a monohydric primary aliphatic unbranched alcohol as a means of forming a thin layer of the composition on the surface of the structure to be given ice protection, and/or as means of forming a homogenized foam with xanthan thickener; which alcohol is selected from the group consisting of alcohols having between 8 to 24 carbon atoms, preferably, 1-dodecanol. Compositions of water, propylene glycol, and/or propanol and xanthan are preferred.

Low Earth Orbital Atomic Oxygen Interactions With Materials

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Miller, Sharon K.; deGroh, Kim K.

2004-01-01

Atomic oxygen is formed in the low Earth orbital environment (LEO) by photo dissociation of diatomic oxygen by short wavelength (< 243 nm) solar radiation which has sufficient energy to break the 5.12 eV O2 diatomic bond in an environment where the mean free path is sufficiently long ( 108 meters) that the probability of reassociation or the formation of ozone (O3) is small. As a consequence, between the altitudes of 180 and 650 km, atomic oxygen is the most abundant species. Spacecraft impact the atomic oxygen resident in LEO with sufficient energy to break hydrocarbon polymer bonds, causing oxidation and thinning of the polymers due to loss of volatile oxidation products. Mitigation techniques, such as the development of materials with improved durability to atomic oxygen attack, as well as atomic oxygen protective coatings, have been employed with varying degrees of success to improve durability of polymers in the LEO environment. Atomic oxygen can also oxidize silicones and silicone contamination to produce non-volatile silica deposits. Such contaminants are present on most LEO missions and can be a threat to performance of optical surfaces. The LEO atomic oxygen environment, its interactions with materials, results of space testing, computational modeling, mitigation techniques, and ground laboratory simulation procedures and issues are presented.

High intensity 5 eV atomic oxygen source and Low Earth Orbit (LEO) simulation facility

NASA Technical Reports Server (NTRS)

Cross, J. B.; Spangler, L. H.; Hoffbauer, M. A.; Archuleta, F. A.; Leger, Lubert; Visentine, James

1987-01-01

An atomic oxygen exposure facility has been developed for studies of material degradation. The goal of these studies is to provide design criteria and information for the manufacture of long life (20 to 30 years) construction materials for use in LEO. The studies that are being undertaken using the facility will provide: absolute reaction cross sections for use in engineering design problems; formulations of reaction mechanisms; and calibration of flight hardware (mass spectrometers, etc.) in order to directly relate experiments performed in LEO to ground based investigations. The facility consists of: (1) a CW laser sustained discharge source of O atoms having a variable energy up to 5 eV and an intensity between 10(15) and 10(17) O atoms s(-1) cm(-2); (2) an atomic beam formation and diagnostics system consisting of various stages of differential pumping, a mass spectrometer detector, and a time of flight analyzer; (3) a spinning rotor viscometer for absolute O atom flux measurements; and (4) provision for using the system for calibration of actual flight instruments. Surface analysis equipment is available for the characterization of material surfaces before and after exposure to O atoms.

Are X-rays the key to integrated computational materials engineering?

DOE PAGES

Ice, Gene E.

2015-11-01

The ultimate dream of materials science is to predict materials behavior from composition and processing history. Owing to the growing power of computers, this long-time dream has recently found expression through worldwide excitement in a number of computation-based thrusts: integrated computational materials engineering, materials by design, computational materials design, three-dimensional materials physics and mesoscale physics. However, real materials have important crystallographic structures at multiple length scales, which evolve during processing and in service. Moreover, real materials properties can depend on the extreme tails in their structural and chemical distributions. This makes it critical to map structural distributions with sufficient resolutionmore » to resolve small structures and with sufficient statistics to capture the tails of distributions. For two-dimensional materials, there are high-resolution nondestructive probes of surface and near-surface structures with atomic or near-atomic resolution that can provide detailed structural, chemical and functional distributions over important length scales. Furthermore, there are no nondestructive three-dimensional probes with atomic resolution over the multiple length scales needed to understand most materials.« less

Direct Visualization of Local Electromagnetic Field Structures by Scanning Transmission Electron Microscopy.

PubMed

Shibata, Naoya; Findlay, Scott D; Matsumoto, Takao; Kohno, Yuji; Seki, Takehito; Sánchez-Santolino, Gabriel; Ikuhara, Yuichi

2017-07-18

The functional properties of materials and devices are critically determined by the electromagnetic field structures formed inside them, especially at nanointerface and surface regions, because such structures are strongly associated with the dynamics of electrons, holes and ions. To understand the fundamental origin of many exotic properties in modern materials and devices, it is essential to directly characterize local electromagnetic field structures at such defect regions, even down to atomic dimensions. In recent years, rapid progress in the development of high-speed area detectors for aberration-corrected scanning transmission electron microscopy (STEM) with sub-angstrom spatial resolution has opened new possibilities to directly image such electromagnetic field structures at very high-resolution. In this Account, we give an overview of our recent development of differential phase contrast (DPC) microscopy for aberration-corrected STEM and its application to many materials problems. In recent years, we have developed segmented-type STEM detectors which divide the detector plane into 16 segments and enable simultaneous imaging of 16 STEM images which are sensitive to the positions and angles of transmitted/scattered electrons on the detector plane. These detectors also have atomic-resolution imaging capability. Using these segmented-type STEM detectors, we show DPC STEM imaging to be a very powerful tool for directly imaging local electromagnetic field structures in materials and devices in real space. For example, DPC STEM can clearly visualize the local electric field variation due to the abrupt potential change across a p-n junction in a GaAs semiconductor, which cannot be observed by normal in-focus bright-field or annular type dark-field STEM imaging modes. DPC STEM is also very effective for imaging magnetic field structures in magnetic materials, such as magnetic domains and skyrmions. Moreover, real-time imaging of electromagnetic field structures can now be realized through very fast data acquisition, processing, and reconstruction algorithms. If we use DPC STEM for atomic-resolution imaging using a sub-angstrom size electron probe, it has been shown that we can directly observe the atomic electric field inside atoms within crystals and even inside single atoms, the field between the atomic nucleus and the surrounding electron cloud, which possesses information about the atomic species, local chemical bonding and charge redistribution between bonded atoms. This possibility may open an alternative way for directly visualizing atoms and nanostructures, that is, seeing atoms as an entity of electromagnetic fields that reflect the intra- and interatomic electronic structures. In this Account, the current status of aberration-corrected DPC STEM is highlighted, along with some applications in real material and device studies.

Laser sustained discharge nozzle apparatus for the production of an intense beam of high kinetic energy atomic species

DOEpatents

Cross, Jon B.; Cremers, David A.

1988-01-01

Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.

Laser sustained discharge nozzle apparatus for the production of an intense beam of high kinetic energy atomic species

DOEpatents

Cross, J.B.; Cremers, D.A.

1986-01-10

Laser sustained discharge apparatus for the production of intense beams of high kinetic energy atomic species is described. A portion of the plasma resulting from a laser sustained continuous optical discharge which generates energetic atomic species from a gaseous source thereof is expanded through a nozzle into a region of low pressure. The expanded plasma contains a significant concentration of the high kinetic energy atomic species which may be used to investigate the interaction of surfaces therewith. In particular, O-atoms having velocities in excess of 3.5 km/s can be generated for the purpose of studying their interaction with materials in order to develop protective materials for spacecraft which are exposed to such energetic O-atoms during operation in low earth orbit.

Magnetic nanohole superlattices

DOEpatents

Liu, Feng

2013-05-14

A magnetic material is disclosed including a two-dimensional array of carbon atoms and a two-dimensional array of nanoholes patterned in the two-dimensional array of carbon atoms. The magnetic material has long-range magnetic ordering at a temperature below a critical temperature Tc.

Using light transmission to watch hydrogen diffuse

PubMed Central

Pálsson, Gunnar K.; Bliersbach, Andreas; Wolff, Max; Zamani, Atieh; Hjörvarsson, Björgvin

2012-01-01

Because of its light weight and small size, hydrogen exhibits one of the fastest diffusion rates in solid materials, comparable to the diffusion rate of liquid water molecules at room temperature. The diffusion rate is determined by an intricate combination of quantum effects and dynamic interplay with the displacement of host atoms that is still only partially understood. Here we present direct observations of the spatial and temporal changes in the diffusion-induced concentration profiles in a vanadium single crystal and we show that the results represent the experimental counterpart of the full time and spatial solution of Fick's diffusion equation. We validate the approach by determining the diffusion rate of hydrogen in a single crystal vanadium (001) film, with net diffusion in the [110] direction. PMID:22692535

Using light transmission to watch hydrogen diffuse

NASA Astrophysics Data System (ADS)

Pálsson, Gunnar K.; Bliersbach, Andreas; Wolff, Max; Zamani, Atieh; Hjörvarsson, Björgvin

2012-06-01

Because of its light weight and small size, hydrogen exhibits one of the fastest diffusion rates in solid materials, comparable to the diffusion rate of liquid water molecules at room temperature. The diffusion rate is determined by an intricate combination of quantum effects and dynamic interplay with the displacement of host atoms that is still only partially understood. Here we present direct observations of the spatial and temporal changes in the diffusion-induced concentration profiles in a vanadium single crystal and we show that the results represent the experimental counterpart of the full time and spatial solution of Fick's diffusion equation. We validate the approach by determining the diffusion rate of hydrogen in a single crystal vanadium (001) film, with net diffusion in the [110] direction.

In-space technology development: Atomic oxygen and orbital debris effects

NASA Technical Reports Server (NTRS)

Visentine, James T.; Potter, Andrew E., Jr.

1989-01-01

Earlier Shuttle flight experiments have shown atomic oxygen within the orbital environment can interact with many materials to produce surface recession and mass loss and combine catalytically with other constituents to generate visible and infrared glows. In addition to these effects, examinations of returned satellite hardware have shown many spacecraft materials are also susceptible to damage from high velocity impacts with orbital space debris. These effects are of particular concern for large, multi-mission spacecraft, such as Space Station and SDI operational satellites, that will operate in low-Earth orbit (LEO) during the late 1990's. Not only must these spacecraft include materials and exterior coatings that are resistant to atomic oxygen surface interactions, but these materials must also provide adequate protection against erosion and pitting that could result from numerous impacts with small particles (less than 100 microns) of orbital space debris. An overview of these concerns is presented, and activities now underway to develop materials and coatings are outlined that will provide adequate atomic protection for future spacecraft. The report also discusses atomic oxygen and orbital debris flight experiments now under development to expand our limited data base, correlate ground-based measurments with flight results, and develop an orbital debris collision warning system for use by future spacecraft.

Static and Dynamic Electron Microscopy Investigations at the Atomic and Ultrafast Scales

NASA Astrophysics Data System (ADS)

Suri, Pranav Kumar

Advancements in the electron microscopy capabilities - aberration-corrected imaging, monochromatic spectroscopy, direct-electron detectors - have enabled routine visualization of atomic-scale processes with millisecond temporal resolutions in this decade. This, combined with progress in the transmission electron microscopy (TEM) specimen holder technology and nanofabrication techniques, allows comprehensive experiments on a wide range of materials in various phases via in situ methods. The development of ultrafast (sub-nanosecond) time-resolved TEM with ultrafast electron microscopy (UEM) has further pushed the envelope of in situ TEM to sub-nanosecond temporal resolution while maintaining sub-nanometer spatial resolution. A plethora of materials phenomena - including electron-phonon coupling, phonon transport, first-order phase transitions, bond rotation, plasmon dynamics, melting, and dopant atoms arrangement - are not yet clearly understood and could be benefitted with the current in situ TEM capabilities having atomic-level and ultrafast precision. Better understanding of these phenomena and intrinsic material dynamics (e.g. how phonons propagate in a material, what time-scales are involved in a first-order phase transition, how fast a material melts, where dopant atoms sit in a crystal) in new-generation and technologically important materials (e.g. two-dimensional layered materials, semiconductor and magnetic devices, rare-earth-element-free permanent magnets, unconventional superconductors) could bring a paradigm shift in their electronic, structural, magnetic, thermal and optical applications. Present research efforts, employing cutting-edge static and dynamic in situ electron microscopy resources at the University of Minnesota, are directed towards understanding the atomic-scale crystallographic structural transition and phonon transport in an iron-pnictide parent compound LaFeAsO, studying the mechanical stability of fast moving hard-drive heads in heat-assisted magnetic recording (HAMR) technology, exploring the possibility of ductile ceramics in magnesium oxide (MgO) nanomaterials, and revealing the atomic-structure of newly discovered rare-earth-element-free iron nitride (FeN) magnetic materials. Via atomic-resolution imaging and electron diffraction coupled with in situ TEM cooling on LaFeAsO, it was found that additional effects not related to the structural transition, namely dynamical scattering and electron channeling, can give signatures reminiscent of those typically associated with the symmetry change. UEM studies on LaFeAsO revealed direct, real-space imaging of the emergence and evolution of acoustic phonons and resolved dispersion behavior during propagation and scattering. Via UEM bright-field imaging, megahertz vibrational frequencies were observed upon laser-illumination in TEM specimens made out of HAMR devices which could be detrimental to their long-term thermal and structural reliability. Compression testing of 100-350 nm single-crystal MgO nanocubes shows size-dependent stresses and engineering strains of 4-13.8 GPa and 0.046-0.221 respectively at the first signs of yield accompanied by an absence of brittle fracture, which is a significant increase in plasticity of a brittle ceramic material. Atomic-scale characterization of FeN phases show that it is possible to detect interstitial locations of low atomic-number nitrogen atoms in iron crystal and hints at a development of novel routes (without involving rare-earth elements) for bulk permanent magnet synthesis.

The Role of Molecular Weight and Temperature on the Elastic and Viscoelastic Properties of a Glassy Thermoplastic Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2001-01-01

Mechanical testing of the elastic and viscoelastic response of an advanced thermoplastic polyimide (LaRC-SI) with known variations in molecular weight was performed over a range of temperatures below the glass transition temperature. The notched tensile strength was shown to be a strong function of both molecular weight and temperature, whereas stiffness was only a strong function of temperature. A critical molecular weight was observed to occur at a weight average molecular weight of M, approx. 22,000 g/mol below which, the notched tensile strength decreases rapidly. This critical molecular weight transition is temperature-independent. Low, molecular weight materials tended to fail in a brittle manner, whereas high molecular weight materials exhibited ductile failure. Furthermore, low molecular weight materials have increased creep compliance and creep compliance rate, and are more sensitive to temperature than the high molecular weight materials. At long timescales (less than 1100 hours) physical aging serves to significantly decrease the creep compliance and creep rate of all the materials tested. Low molecular weight materials are less influenced by the effects of physical aging.

IR investigation on silicon oxycarbide structure obtained from precursors with 1:1 silicon to carbon atoms ratio and various carbon atoms distribution

NASA Astrophysics Data System (ADS)

Niemiec, Wiktor; Szczygieł, Przemysław; Jeleń, Piotr; Handke, Mirosław

2018-07-01

Silicon oxycarbide is a material with a number of advantageous properties that strongly depend on its structure. The most common approach to its tailoring is based on varying the silicon to carbon atoms ratio in the preceramic polymeric precursor. This work is the first comparison of the materials obtained from precursors with the same Si to C atoms ratio, but with various distribution of these atoms in the preceramic polymer. In addition to standard mixtures of monomers containing single silicon atom, a number of monomers with high molar masses and well defined structure was used. The IR was used to investigate the structure of the precursors and materials obtained after their annealing in 800 °C. The results show, that not only the distribution of carbon containing groups among the monomers is important, but also the (in)ability of these groups to end up in each other vicinity in the precursor as well as the degree of condensation of each structural unit.

Atomic Oxygen Effects on Coated Tether Materials

NASA Technical Reports Server (NTRS)

Gittemeier, Keith A.; Hawk, Clark W.; Finckenor, Miria M.; Watts, Ed

2005-01-01

The University of Alabama in Huntsville s Propulsion Research Center has teamed with NASA's Marshall Space Flight Center (MSFC) to research the effects of atomic oxygen (AO) bombardment on coated tether materials. Tethers Unlimited Inc. has provided several candidate tether materials with various coatings for (AO) exposure in MSFC's Atomic Oxygen Beam Facility. Additional samples were exposed to ultraviolet (UV) radiation at MSFC. AO erodes most organic materials, and ultraviolet radiation embrittles polymers. This test series was performed to determine the effect of AO and UV on the mechanical integrity of tether materials that were treated with AO-protective coatings, such as Photosil or metallization. Both TUI's Multi-Application Survivable Tether (MAST) Experiment and Marshall Space Flight Center's Momentum Exchange Electrodynamic Reboost (MXER) programs will benefit from this research by helping to determine tether materials and coatings that give the longest life with the lowest mass penalty.

Rotorcraft Weight Trends in Light of Structural Material Characteristics

DTIC Science & Technology

1987-04-26

torsion W weight for tota We weight empty v tail rotor 0 mass ratio got ultimate to specific weight I wVater S specific gravity * twist, torsion...imagined meters. An alternate way of expressing the weight effectiveness of materials may be based on the specific gravity of the material. In this...specific weight of distilled water at 40C, and 6. is the specific gravity of the considered structural material. Since, obviously, 7,, - const, it may

Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

NASA Astrophysics Data System (ADS)

Guo, Aobo; Ashmead, Claire C.; de Groh, Kim K.; Sechkar, Edward A.

When exposed to low Earth orbit (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and interaction with atomic oxygen (AO). Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical properties deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cm3/atom) of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon® fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 × 10-24 cm3/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 × 10-24 cm3/atom. The Ey of the pristine samples was 1.6 to 1.7 × 10-24 cm3/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

NASA Technical Reports Server (NTRS)

Guo, Aobo; Ashmead, Claire C.; deGroh, Kim K.

2012-01-01

When exposed to low Earth orbital (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and atomic oxygen (AO) interaction. Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical property deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cu cm/atom), of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon (DuPont) fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 10(exp -24)cu cm/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 10(exp -24)cu cm/atom. The Ey of the pristine samples was 1.6- 1.7 10(exp -24)cu cm/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

BioProgrammable One, Two, and Three Dimensional Materials

DTIC Science & Technology

2017-01-18

or three- dimensional architectures. The Mirkin group has used DNA-functionalized nanoparticles as “programmable atom equivalents (PAEs)” as material...with electron beam lithography to simultaneously control material structure at the nano- and macroscopic length scales. The Nguyen group has...synthesized and assembled small molecule-DNA hybrids (SMDHs) as part of programmable atom equivalents . The Rosi group identified design rules for using

A RESTful API for Exchanging Materials Data in the AFLOWLIB.org Consortium

DTIC Science & Technology

2014-03-12

of North Texas, Denton TX 4Materials Science, Electrical Engineering, Physics and Chemistry, Duke University, Durham NC, 27708 †On leave from the...software tools, input and output data are maintained remotely, lowering cost, improving ecological sustainability (saving electricity ) and increas- ing...enthalpy_formation_atom) – Description. Returns the formation enthalpy ∆HF per unit cell (∆HF atomic per atom). For compounds ANABNB · · · with NA + NB

Effective atomic numbers and electron density of dosimetric material

PubMed Central

Kaginelli, S. B.; Rajeshwari, T.; Sharanabasappa; Kerur, B. R.; Kumar, Anil S.

2009-01-01

A novel method for determination of mass attenuation coefficient of x-rays employing NaI (Tl) detector system and radioactive sources is described.in this paper. A rigid geometry arrangement and gating of the spectrometer at FWHM position and selection of absorber foils are all done following detailed investigation, to minimize the effect of small angle scattering and multiple scattering on the mass attenuation coefficient, μ/ρ, value. Firstly, for standardization purposes the mass attenuation coefficients of elemental foils such as Aluminum, Copper, Molybdenum, Tantalum and Lead are measured and then, this method is utilized for dosimetric interested material (sulfates). The experimental mass attenuation coefficient values are compared with the theoretical values to find good agreement between the theory and experiment within one to two per cent. The effective atomic numbers of the biological substitute material are calculated by sum rule and from the graph. The electron density of dosimetric material is calculated using the effective atomic number. The study has discussed in detail the attenuation coefficient, effective atomic number and electron density of dosimetric material/biological substitutes. PMID:20098566

Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin.

PubMed

White, Claire E; Provis, John L; Proffen, Thomas; Riley, Daniel P; van Deventer, Jannie S J

2010-04-07

Understanding the atomic structure of complex metastable (including glassy) materials is of great importance in research and industry, however, such materials resist solution by most standard techniques. Here, a novel technique combining thermodynamics and local structure is presented to solve the structure of the metastable aluminosilicate material metakaolin (calcined kaolinite) without the use of chemical constraints. The structure is elucidated by iterating between least-squares real-space refinement using neutron pair distribution function data, and geometry optimisation using density functional modelling. The resulting structural representation is both energetically feasible and in excellent agreement with experimental data. This accurate structural representation of metakaolin provides new insight into the local environment of the aluminium atoms, with evidence of the existence of tri-coordinated aluminium. By the availability of this detailed chemically feasible atomic description, without the need to artificially impose constraints during the refinement process, there exists the opportunity to tailor chemical and mechanical processes involving metakaolin and other complex metastable materials at the atomic level to obtain optimal performance at the macro-scale.

Spacecraft thermal energy accommodation from atomic recombination

NASA Technical Reports Server (NTRS)

Carleton, Karen L.; Marinelli, William J.

1991-01-01

Measurements of atomic recombination probabilities important in determining energy release to reusable spacecraft thermal protection surfaces during reentry are presented. An experimental apparatus constructed to examine recombination of atomic oxygen from thermal protection and reference materials at reentry temperatures is described. The materials are examined under ultrahigh vacuum conditions to develop and maintain well characterized surface conditions that are free of contamination. When compared with stagnation point heat transfer measurements performed in arc jet facilities, these measurements indicate that a significant fraction of the excess energy available from atom recombination is removed from the surface as metastable O2.

Liquid electrolyte-free, solid-state solar cells with inorganic hole transport materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanatzidis, Mercouri G.; Chung, In; Lee, Byunghong

Photovoltaic cells incorporating the compounds A/M/X compounds as hole transport materials are provide. The A/M/X compounds comprise one or more A moieties, one or more M atoms and one or more X atoms. The A moieties are selected from organic cations and elements from Group 1 of the periodic table, the M atoms are selected from elements from at least one of Groups 3, 4, 5, 13, 14 or 15 of the periodic table, and the X atoms are selected from elements from Group 17 of the periodic table.

Hydrogen positions in single nanocrystals revealed by electron diffraction

NASA Astrophysics Data System (ADS)

Palatinus, L.; Brázda, P.; Boullay, P.; Perez, O.; Klementová, M.; Petit, S.; Eigner, V.; Zaarour, M.; Mintova, S.

2017-01-01

The localization of hydrogen atoms is an essential part of crystal structure analysis, but it is difficult because of their small scattering power. We report the direct localization of hydrogen atoms in nanocrystalline materials, achieved using the recently developed approach of dynamical refinement of precession electron diffraction tomography data. We used this method to locate hydrogen atoms in both an organic (paracetamol) and an inorganic (framework cobalt aluminophosphate) material. The results demonstrate that the technique can reliably reveal fine structural details, including the positions of hydrogen atoms in single crystals with micro- to nanosized dimensions.

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

28 CFR 13.3 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.3 Definitions. Atomic energy means all forms of energy released in the course of nuclear fission or nuclear transformation. Atomic weapon means any device utilizing atomic energy, exclusive of the means for transporting...

Improving atomic displacement and replacement calculations with physically realistic damage models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nordlund, Kai; Zinkle, Steven J.; Sand, Andrea E.

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor ofmore » 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.« less

Improving atomic displacement and replacement calculations with physically realistic damage models

DOE PAGES

Nordlund, Kai; Zinkle, Steven J.; Sand, Andrea E.; ...

2018-03-14

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor ofmore » 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.« less

Improving atomic displacement and replacement calculations with physically realistic damage models.

PubMed

Nordlund, Kai; Zinkle, Steven J; Sand, Andrea E; Granberg, Fredric; Averback, Robert S; Stoller, Roger; Suzudo, Tomoaki; Malerba, Lorenzo; Banhart, Florian; Weber, William J; Willaime, Francois; Dudarev, Sergei L; Simeone, David

2018-03-14

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor of 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.

Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.

PubMed

Golmohammadi, Hassan

2009-11-30

A quantitative structure-property relationship (QSPR) study was performed to develop models those relate the structure of 141 organic compounds to their octanol-water partition coefficients (log P(o/w)). A genetic algorithm was applied as a variable selection tool. Modeling of log P(o/w) of these compounds as a function of theoretically derived descriptors was established by multiple linear regression (MLR), partial least squares (PLS), and artificial neural network (ANN). The best selected descriptors that appear in the models are: atomic charge weighted partial positively charged surface area (PPSA-3), fractional atomic charge weighted partial positive surface area (FPSA-3), minimum atomic partial charge (Qmin), molecular volume (MV), total dipole moment of molecule (mu), maximum antibonding contribution of a molecule orbital in the molecule (MAC), and maximum free valency of a C atom in the molecule (MFV). The result obtained showed the ability of developed artificial neural network to prediction of partition coefficients of organic compounds. Also, the results revealed the superiority of ANN over the MLR and PLS models. Copyright 2009 Wiley Periodicals, Inc.

Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems.

PubMed

Suzuki, Kimichi; Morokuma, Keiji; Maeda, Satoshi

2017-10-05

We propose a multistructural microiteration (MSM) method for geometry optimization and reaction path calculation in large systems. MSM is a simple extension of the geometrical microiteration technique. In conventional microiteration, the structure of the non-reaction-center (surrounding) part is optimized by fixing atoms in the reaction-center part before displacements of the reaction-center atoms. In this method, the surrounding part is described as the weighted sum of multiple surrounding structures that are independently optimized. Then, geometric displacements of the reaction-center atoms are performed in the mean field generated by the weighted sum of the surrounding parts. MSM was combined with the QM/MM-ONIOM method and applied to chemical reactions in aqueous solution or enzyme. In all three cases, MSM gave lower reaction energy profiles than the QM/MM-ONIOM-microiteration method over the entire reaction paths with comparable computational costs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

A valence bond study of three-center four-electron pi bonding: electronegativity vs electroneutrality.

PubMed

DeBlase, Andrew; Licata, Megan; Galbraith, John Morrison

2008-12-18

Three-center four-electron (3c4e) pi bonding systems analogous to that of the ozone molecule have been studied using modern valence bond theory. Molecules studied herein consist of combinations of first row atoms C, N, and O with the addition of H atoms where appropriate in order to preserve the 3c4e pi system. Breathing orbital valence bond (BOVB) calculations were preformed at the B3LYP/6-31G**-optimized geometries in order to determine structural weights, pi charge distributions, resonance energies, and pi bond energies. It is found that the most weighted VB structure depends on atomic electronegativity and charge distribution, with electronegativity as the dominant factor. By nature, these systems are delocalized, and therefore, resonance energy is the main contributor to pi bond energies. Molecules with a single dominant VB structure have low resonance energies and therefore low pi bond energies.

On Structure and Properties of Amorphous Materials

PubMed Central

Stachurski, Zbigniew H.

2011-01-01

Mechanical, optical, magnetic and electronic properties of amorphous materials hold great promise towards current and emergent technologies. We distinguish at least four categories of amorphous (glassy) materials: (i) metallic; (ii) thin films; (iii) organic and inorganic thermoplastics; and (iv) amorphous permanent networks. Some fundamental questions about the atomic arrangements remain unresolved. This paper focuses on the models of atomic arrangements in amorphous materials. The earliest ideas of Bernal on the structure of liquids were followed by experiments and computer models for the packing of spheres. Modern approach is to carry out computer simulations with prediction that can be tested by experiments. A geometrical concept of an ideal amorphous solid is presented as a novel contribution to the understanding of atomic arrangements in amorphous solids. PMID:28824158

Deformed space-time transformations in Mercury

NASA Astrophysics Data System (ADS)

Cardone, F.; Albertini, G.; Bassani, D.; Cherubini, G.; Guerriero, E.; Mignani, R.; Monti, M.; Petrucci, A.; Ridolfi, F.; Rosada, A.; Rosetto, F.; Sala, V.; Santoro, E.; Spera, G.

2017-09-01

A mole of Mercury was suitably treated by ultrasound in order to generate in it the same conditions of local Lorentz invariance violation that were generated in a sonicated cylindrical bar of AISI 304 steel and that are the cause of neutron emission during the sonication. After 3 min, part of the mercury turned into a solid material which turned out to contain isotopes having a different mass (higher and lower) with respect to the isotopes already present in the initial material (mercury). These transformations in the atomic weight without gamma production above the background are brought about during Deformed Space-Time reactions. We present the results of the analyses performed on samples taken from the transformation product. The analyses have been done in two groups, the first one using five different analytical techniques: ICP-OES, XRF, ESEM-EDS, ICP-MS, INAA. In the second group of analyses, we used only two techniques: INAA and ICP-MS. The second group of analyses confirmed the occurring of the transformations in mercury.

Self-assembly 2D zinc-phthalocyanine heterojunction: An ideal platform for high efficiency solar cell

NASA Astrophysics Data System (ADS)

Jiang, Xue; Jiang, Zhou; Zhao, Jijun

2017-12-01

As an alternative to silicon-based solar cells, organic photovoltaic cells emerge for their easy manufacture, low cost, and light weight but are limited by their less stability, low power conversion efficiencies, and low charge carrier mobilities. Here, we design a series of two-dimensional (2D) organic materials incorporating zinc-phthalocyanine (ZnPc) based building blocks which can inherit their excellent intrinsic properties but overcome those shortcomings. Our first-principles calculation shows that such 2D ZnPc-based materials exhibit excellent thermal stabilities, suitable bandgaps, small effective masses, and good absorption properties. The additional benzene rings and nitrogen atoms incorporated between ZnPc molecules are mainly responsible for the modifications of electronic and optical properties. Moreover, some heterojunction solar cells constructed using those 2D ZnPc monolayers as the donor and acceptor have an appropriate absorber gap and interface band alignment. Among them, a power conversion efficiency up to 14.04% is achieved, which is very promising for the next-generation organic solar cells.

Asymmetric twins in rhombohedral boron carbide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fujita, Takeshi, E-mail: tfujita@wpi-aimr.tohoku.ac.jp; Guan, Pengfei; Madhav Reddy, K.

2014-01-13

Superhard materials consisting of light elements have recently received considerable attention because of their ultrahigh specific strength for a wide range of applications as structural and functional materials. However, the failure mechanisms of these materials subjected to high stresses and dynamic loading remain to be poorly known. We report asymmetric twins in a complex compound, boron carbide (B{sub 4}C), characterized by spherical-aberration-corrected transmission electron microscopy. The atomic structure of boron-rich icosahedra at rhombohedral vertices and cross-linked carbon-rich atomic chains can be clearly visualized, which reveals unusual asymmetric twins with detectable strains along the twin interfaces. This study offers atomic insightsmore » into the structure of twins in a complex material and has important implications in understanding the planar defect-related failure of superhard materials under high stresses and shock loading.« less

Molecular dynamics simulation investigations of atomic-scale wear

NASA Astrophysics Data System (ADS)

Shao, Yuchong; Falk, Michael

2013-03-01

Frictional running-in and material transfer in wear take place at the micro- and nano-scale but the fundamental physics remain poorly understood. Here we intend to investigate wear and running-in phenomena in silicon based materials, which are widely utilized in micro/nano electromechanical systems(MEMS/NEMS). We use an atomic force microscopy (AFM) model composed of a crystalline silicon tip and substrate coated with native oxide layers. Molecular dynamics simulation has been performed over a range of temperatures, external loads and slip rates. Results show that adhesive wear takes place across the interface in an atom-by-atom fashion which remodels the tip leading to a final steady state. We quantify the rate of material transfer as a function of the coverage of non-bridging oxygen (NBO) atoms, which has a pronounced change of the system's tribological and wear behaviors. A constitutive rate and state model is proposed to predict the evolution of frictional strength and wear. This work is supported by the National Science Foundation under Award No. 0926111.

25. Plutonium Recovery From Contaminated Materials, Architectural Plans & Details, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

25. Plutonium Recovery From Contaminated Materials, Architectural Plans & Details, Building 232-Z, U.S. Atomic Energy Commission, Hanford Atomic Products Operation, General Electric Company, Dwg. No. H-2-23105, 1959. - Plutonium Finishing Plant, Waste Incinerator Facility, 200 West Area, Richland, Benton County, WA

24. Plutonium Recovery From Contaminated Materials, Architectural Details, Building 232z, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

24. Plutonium Recovery From Contaminated Materials, Architectural Details, Building 232-z, U.S. Atomic Energy Commission, Hanford Atomic Products Operation, General Electric Company, Dwg. No. H-2-23106, 1959. - Plutonium Finishing Plant, Waste Incinerator Facility, 200 West Area, Richland, Benton County, WA

26. Plutonium Recovery From Contaminated Materials, Architectural Elevations, Sections & ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

26. Plutonium Recovery From Contaminated Materials, Architectural Elevations, Sections & Dets., Building 232-Z, U.S. Atomic Energy Commission, Hanford Atomic Products Operation, General Electric Company, Dwg. No. H-2-23106, 1959. - Plutonium Finishing Plant, Waste Incinerator Facility, 200 West Area, Richland, Benton County, WA

Field Ion Microscopy and Atom Probe Tomography of Metamorphic Magnetite Crystals

NASA Technical Reports Server (NTRS)

Kuhlman, K.; Martens, R. L.; Kelly, T. F.; Evans, N. D.; Miller, M. K.

2001-01-01

Magnetite has been analysed using Field Ion Microscopy (FIM) and Atom Probe Tomography (APT), highly attractive techniques for the nanoanalysis of geological materials despite the difficulties inherent in analyzing semiconducting and insulating materials. Additional information is contained in the original extended abstract.

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2011 CFR

2011-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2013 CFR

2013-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2010 CFR

2010-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2012 CFR

2012-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

10 CFR 780.50 - Applicants.

Code of Federal Regulations, 2014 CFR

2014-01-01

... the Atomic Energy Act of 1954 and Compensation Under Section 173 of the Atomic Energy Act of 1954 and... useful in the production or utilization of special nuclear material or atomic energy, has complied with...

Synthesis and Characteristics of HgCdSe for IR Detection

DTIC Science & Technology

2014-03-11

Photoelectron Spectroscopy Study of Oxide Removal Using Atomic Hydrogen for Large-Area II–VI Material Growth, Journal of Electronic Materials...Workshop on the Physics and Chemistry of II-VI Materials, Chicago IL (October 1-3, 2013) “Use of Atomic Hydrogen to Prepare GaSb(211)B and GaSb(100...Workshop on the Physics and Chemistry of II-VI Materials, Chicago IL (October, 2011) "Xray photoelectron spectroscopy study of oxide removal using

Standard deviations of composition measurements in atom probe analyses. Part I conventional 1D atom probe.

PubMed

Danoix, F; Grancher, G; Bostel, A; Blavette, D

2007-09-01

Atom probe is a very powerful instrument to measure concentrations on a sub nanometric scale [M.K. Miller, G.D.W. Smith, Atom Probe Microanalysis, Principles and Applications to Materials Problems, Materials Research Society, Pittsburgh, 1989]. Atom probe is therefore a unique tool to study and characterise finely decomposed metallic materials. Composition profiles or 3D mapping can be realised by gathering elemental composition measurements. As the detector efficiency is generally not equal to 1, the measured compositions are only estimates of actual values. The variance of the estimates depends on which information is to be estimated. It can be calculated when the detection process is known. These two papers are devoted to give complete analytical derivation and expressions of the variance on composition measurements in several situations encountered when using atom probe. In the first paper, we will concentrate on the analytical derivation of the variance when estimation of compositions obtained from a conventional one dimension (1D) atom probe is considered. In particular, the existing expressions, and the basic hypotheses on which they rely, will be reconsidered, and complete analytical demonstrations established. In the second companion paper, the case of 3D atom probe will be treated, highlighting how the knowledge of the 3D position of detected ions modifies the analytical derivation of the variance of local composition data.

New Active Optical Technique Developed for Measuring Low-Earth-Orbit Atomic Oxygen Erosion of Polymers

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; deGroh, Kim K.; Demko, Rikako

2003-01-01

Polymers such as polyimide Kapton (DuPont) and Teflon FEP (DuPont, fluorinated ethylene propylene) are commonly used spacecraft materials because of desirable properties such as flexibility, low density, and in the case of FEP, a low solar absorptance and high thermal emittance. Polymers on the exterior of spacecraft in the low-Earth-orbit (LEO) environment are exposed to energetic atomic oxygen. Atomic oxygen reaction with polymers causes erosion, which is a threat to spacecraft performance and durability. It is, therefore, important to understand the atomic oxygen erosion yield E (the volume loss per incident oxygen atom) of polymers being considered in spacecraft design. The most common technique for determining E is a passive technique based on mass-loss measurements of samples exposed to LEO atomic oxygen during a space flight experiment. There are certain disadvantages to this technique. First, because it is passive, data are not obtained until after the flight is completed. Also, obtaining the preflight and postflight mass measurements is complicated by the fact that many polymers absorb water and, therefore, the mass change due to water absorption can affect the E data. This is particularly true for experiments that receive low atomic oxygen exposures or for samples that have a very low E. An active atomic oxygen erosion technique based on optical measurements has been developed that has certain advantages over the mass-loss technique. This in situ technique can simultaneously provide the erosion yield data on orbit and the atomic oxygen exposure fluence, which is needed for erosion yield determination. In the optical technique, either sunlight or artificial light can be used to measure the erosion of semitransparent or opaque polymers as a result of atomic oxygen attack. The technique is simple and adaptable to a rather wide range of polymers, providing that they have a sufficiently high optical absorption coefficient. If one covers a photodiode with a uniformly thick sheet of semitransparent polymer such as Kapton H polyimide, then as atomic oxygen erodes the polymer, the short-circuit current from the photodiode will increase in an exponential manner with fluence. This nonlinear response with fluence results in a lack of sensitivity for measuring low atomic oxygen fluences. However, if one uses a variable-thickness polymer or carbon sample, which is configured as shown in the preceding figure, then a linear response can be achieved for opaque materials using a parabolic well for a circular geometry detector or a V-shaped well for a rectangular-geometry detector. Variable-thickness samples can be fabricated using many thin polymer layers. For semitransparent polymers such as Kapton H polyimide, there is an initial short-circuit current that is greater than zero. This current has a slightly nonlinear dependence on atomic oxygen fluence in comparison to opaque materials such as black Kapton as shown in the graph. For this graph figure, the total thickness of Kapton H was assumed to be 0.03 cm. The photodiode short-circuit current shown in the graph was generated on the basis of preliminary measurements-a total reflectance rho of 0.0424 and an optical absorption coefficient a of 146.5 cm(sup -1). In addition to obtaining on-orbit data, the advantage of this active erosion and erosion yield measurement technique is its simplicity and reliance upon well-characterized fluence witness materials as well as a nearly linear photodiode short-circuit current dependence upon atomic oxygen fluence. The optical technique is useful for measuring either atomic oxygen fluence or erosion, depending on the information desired. To measure the atomic oxygen erosion yield of a test material, one would need to have two photodiode sensors, one for the test material and one that uses a known erosion yield material (such as Kapton) to measure the atomic oxygen fluence.

Compositions of doped, co-doped and tri-doped semiconductor materials

DOEpatents

Lynn, Kelvin [Pullman, WA; Jones, Kelly [Colfax, WA; Ciampi, Guido [Watertown, MA

2011-12-06

Semiconductor materials suitable for being used in radiation detectors are disclosed. A particular example of the semiconductor materials includes tellurium, cadmium, and zinc. Tellurium is in molar excess of cadmium and zinc. The example also includes aluminum having a concentration of about 10 to about 20,000 atomic parts per billion and erbium having a concentration of at least 10,000 atomic parts per billion.

Highly fluorinated polyurethanes

NASA Technical Reports Server (NTRS)

Stump, E. C., Jr.; Rochow, S. E. (Inventor)

1972-01-01

New polyurethanes containing a high degree of fluorine atoms are reported. The presence of the fluorine atoms in the polyurethane resins provides material having good thermal stability and chemical resistance. These polyurethanes are derived from a new hydroxy-terminated perfluoro polyether. The hydroxy terminated material is reacted with a diisocyanate to produce the polyurethanes. The polyurethanes can be used to form seals, coatings, potting material, hoses and the like.

Solar concentrator materials development

NASA Technical Reports Server (NTRS)

Morel, D. E.; Ayers, S. R.; Gulino, D. A.; Tennyson, R. C.; Egger, R. A.

1986-01-01

Materials with potential applications in reflective and refractive solar dynamic concentrators are tested for resistance to atomic oxygen degradation. It is found that inorganic coatings such as MgF2, SiO(x), and ITO provide excellent protection for reflective surfaces while organic materials are much more susceptible to erosion and mass loss. Of the organic polymers tested, the silicones have the highest intrinsic resistance to atomic oxygen degradation.

Non-uniformly functionalized titanium carbide-based MXenes as an anchoring material for Li-S batteries: A first-principles calculation

NASA Astrophysics Data System (ADS)

Sim, Eun Seob; Chung, Yong-Chae

2018-03-01

In this study, the influence of the non-uniform surface of F- and O-functionalized Ti2C on the anchoring behavior of lithium polysulfide (LiPS) is investigated using density functional theory. In order to consider the non-uniform surface, the substitutional, vacancy, and S-trapped sites of F- and O-functionalized Ti2C are designed. The anchoring behavior is investigated considering the adsorption energy of LiPS, reactivity between Li atoms and the substrate, and the reduction state of the S atoms. On the F-substitutional site of the O-functionalized surface, it is confirmed that the suppressing mechanism changes from the neutralization of S atoms to the anchoring of LiPS. However, too strong of an interaction between Ti atoms exposed at the vacancy site and S atoms induces trapping of the S atom at the vacancies of both F- and O-functionalized surfaces. As a result of the trapping of the S atom, the use of active material decreases. In addition, the S-trapped site originated from the vacancy site does not affect the suppressing mechanism. In conclusion, to optimize the Ti2C-based MXene as an anchoring material for Li-S batteries, the preparation process should be focused on eliminating the vacancy of functional groups.

Colloidal Disorder-Order Transition Experiment Probes Particle Interactions in Microgravity

NASA Technical Reports Server (NTRS)

1997-01-01

Everything in the universe is made up of the same basic building blocks - atoms. All physical properties of matter such as weight, hardness, and color are determined by the kind of atoms present and the way they interact with each other. The Colloidal Disorder-Order Transition (CDOT) shuttle flight experiment tested fundamental theories that model atomic interactions. The experiment was part of the Second United States Microgravity Laboratory (USML-2) aboard the Space Shuttle Columbia, which flew from October 20 to November 5, 1995.

A Monte Carlo Analysis of Weight Data from UF 6 Cylinder Feed and Withdrawal Stations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garner, James R; Whitaker, J Michael

2015-01-01

As the number of nuclear facilities handling uranium hexafluoride (UF 6) cylinders (e.g., UF 6 production, enrichment, and fuel fabrication) increase in number and throughput, more automated safeguards measures will likely be needed to enable the International Atomic Energy Agency (IAEA) to achieve its safeguards objectives in a fiscally constrained environment. Monitoring the process data from the load cells built into the cylinder feed and withdrawal (F/W) stations (i.e., cylinder weight data) can significantly increase the IAEA’s ability to efficiently achieve the fundamental safeguards task of confirming operations as declared (i.e., no undeclared activities). Researchers at the Oak Ridge Nationalmore » Laboratory, Los Alamos National Laboratory, the Joint Research Center (in Ispra, Italy), and University of Glasgow are investigating how this weight data can be used for IAEA safeguards purposes while fully protecting the operator’s proprietary and sensitive information related to operations. A key question that must be resolved is, what is the necessary frequency of recording data from the process F/W stations to achieve safeguards objectives? This paper summarizes Monte Carlo simulations of typical feed, product, and tails withdrawal cycles and evaluates longer sampling frequencies to determine the expected errors caused by low-frequency sampling and its impact on material balance calculations.« less

32 CFR 2400.4 - Atomic Energy Material.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 32 National Defense 6 2013-07-01 2013-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

32 CFR 2400.4 - Atomic Energy Material.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 32 National Defense 6 2010-07-01 2010-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

32 CFR 2400.4 - Atomic Energy Material.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 32 National Defense 6 2014-07-01 2014-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

32 CFR 2400.4 - Atomic Energy Material.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 32 National Defense 6 2011-07-01 2011-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

32 CFR 2400.4 - Atomic Energy Material.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 32 National Defense 6 2012-07-01 2012-07-01 false Atomic Energy Material. 2400.4 Section 2400.4 National Defense Other Regulations Relating to National Defense OFFICE OF SCIENCE AND TECHNOLOGY POLICY REGULATIONS TO IMPLEMENT E.O. 12356; OFFICE OF SCIENCE AND TECHNOLOGY POLICY INFORMATION SECURITY PROGRAM...

Effects of humic substances on the bioconcentration of polycyclic aromatic hydrocarbons: Correlations with spectroscopic and chemical properties of humic substances

USGS Publications Warehouse

Haitzer, M.; Abbt-Braun, G.; Traunspurger, W.; Steinberg, C.E.W.

1999-01-01

The presence of dissolved humic substances (HS, fulvic and humic acids) generally reduces the uptake of hydrophobic organic compounds into aquatic organisms. The extent of this effect depends both on the concentration and on the origin of the HS. The aim of this study was to investigate the role of qualitative differences between HS from different origins. The effects of seven different HS on the bioconcentration of pyrene and benzo[a]pyrene (BaP) in the nematode Caenorhabditis elegans were related to the spectroscopic and chemical properties of the HS. The effect of each humic material on the bioconcentration of pyrene or BaP was quantified as a 'biologically determined' partition coefficient K(DOC). We observed significant linear relationships between K(DOC) and the atomic H/C ratio, the specific absorptivity at 254 nm, the content of aromatic carbons (as determined by 13C nuclear magnetic resonance spectroscopy, the copper-complexing capacity, the content of phenolic OH groups, and the molecular weight of the HS. There was no discernible relationship of K(DOC) with the atomic (N + O)/C ratio, an indicator of the polarity of HS. Taken together, our results show that the variability in the effects of HS from different origins could be related to variations in bulk properties of the HS. Parameters describing the aromaticity of the humic materials seemed to be most useful for estimating effects of HS on the bioconcentration of pyrene and BaP.

Studies on structural, electrical, thermal and magnetic properties of YFeO3 ceramic

NASA Astrophysics Data System (ADS)

Suthar, Lokesh; Jha, V. K.; Bhadala, Falguni; Roy, M.; Sahu, S.; Barbar, S. K.

2017-10-01

The polycrystalline ceramic sample of YFeO3 has been synthesized by high-temperature solid-state reaction method using high-purity oxides. The formation of the compound has been confirmed by the room temperature (RT) X-ray diffraction analysis. The refined lattice parameters obtained by Rietveld analysis are: a = 5.5907 Å, b = 7.6082 Å and c = 5.2849 Å with orthorhombic symmetry in space group Pnma. The average grain size obtained from the SEM micrograph is around 2 µm. The three-dimensional surface morphology has been investigated using atomic force microscopy (AFM), and the average roughness measured in the sampling area of 100.07 µm2 is around 142 nm. The frequency- and temperature-dependent dielectric constant has been measured. The material shows high dielectric constant value (750) at RT. The activation energy obtained from dc conductivity using Arrhenius relation σ = σ oexp(-Ea/kT) is 2.12 eV. Thermal analysis shows phase change around 625 K with minimum weight loss (i.e. 1.27% of initial weight) from RT to 1273 K. The magnetization measurement indicates soft magnetic behaviour.

How to polymerize ethylene in a highly controlled fashion?

PubMed

Kempe, Rhett

2007-01-01

Very fast, reversible, polyethylene (PE) chain transfer or complex-catalysed "Aufbaureaktion" describes a "living" chain-growing process on a main-group metal or zinc atom; this process is catalysed by an organo-transition-metal or lanthanide complex. PE chains are transferred very fast between the two metal sites and chain growth takes place through ethylene insertion into the transition-metal- or lanthanide-carbon bond-coordinative chain-transfer polymerisation (CCTP). The transferred chains "rest" at the main-group or zinc centre, at which chain-termination processes like beta-H transfer/elimination are of low significance. Such protocols can be used to synthesise very narrowly distributed PE materials (M(w)/M(n)<1.1 up to a molecular weight of about 4000 g mol(-1)) with differently functionalised end groups. Higher molecular-weight polymers can be obtained with a slightly increased M(w)/M(n), since diffusion control and precipitation of the polymers influences the chain-transfer process. Recently, a few transition-metal- or lanthanide-based catalyst systems that catalyse such a highly reversible chain-growing process have been described. They are summarised and compared within this contribution.

Simple method for determination of selenium in biological materials by flameless atomic-absorption spectrometry using a carbon-tube atomizer.

PubMed

Ishizaki, M

1978-03-01

A method for determination of selenium in biological materials by flameless atomic-absorption spectrometry using a carbon-tube atomizer is described. The sample is burned by an oxygen-flask combustion procedure, the resulting solution is treated with a cation-exchange resin to eliminate interfering cations, the selenium is extracted with dithizone in carbon tetrachloride and the resulting selenium dithizonate is combined with nickel nitrate in the carbon tube to enhance the sensitivity for selenium and avoid volatilization losses. The method measures selenium concentrations as low as 0.01 mug/g with a relative standard deviation of 8%.

Atom-scale compositional distribution in InAlAsSb-based triple junction solar cells by atom probe tomography.

PubMed

Hernández-Saz, J; Herrera, M; Delgado, F J; Duguay, S; Philippe, T; Gonzalez, M; Abell, J; Walters, R J; Molina, S I

2016-07-29

The analysis by atom probe tomography (APT) of InAlAsSb layers with applications in triple junction solar cells (TJSCs) has shown the existence of In- and Sb-rich regions in the material. The composition variation found is not evident from the direct observation of the 3D atomic distribution and because of this a statistical analysis has been required. From previous analysis of these samples, it is shown that the small compositional fluctuations determined have a strong effect on the optical properties of the material and ultimately on the performance of TJSCs.

Analysis of Size Correlations for Microdroplets Produced by Ultrasonic Atomization

PubMed Central

Barba, Anna Angela; d'Amore, Matteo

2013-01-01

Microencapsulation techniques are widely applied in the field of pharmaceutical production to control drugs release in time and in physiological environments. Ultrasonic-assisted atomization is a new technique to produce microencapsulated systems by a mechanical approach. Interest in this technique is due to the advantages evidenceable (low level of mechanical stress in materials, reduced energy request, reduced apparatuses size) when comparing it to more conventional techniques. In this paper, the groundwork of atomization is introduced, the role of relevant parameters in ultrasonic atomization mechanism is discussed, and correlations to predict droplets size starting from process parameters and material properties are presented and tested. PMID:24501580

Atomic Structure of Au 329(SR) 84 Faradaurate Plasmonic Nanomolecules

DOE PAGES

Kumara, Chanaka; Zuo, Xiaobing; Ilavsky, Jan; ...

2015-04-03

To design novel nanomaterials, it is important to precisely control the composition, determine the atomic structure, and manipulate the structure to tune the materials property. Here we present a comprehensive characterization of the material whose composition is Au 329(SR) 84 precisely, therefore referred to as a nanomolecule. The size homogeneity was shown by electron microscopy, solution X-ray scattering, and mass spectrometry. We proposed its atomic structure to contain the Au 260 core using experiments and modeling of a total-scattering-based atomic-pair distribution functional analysis. HAADF-STEM images shows fcc-like 2.0 ± 0.1 nm diameter nanomolecules.

Equation-of-State Scaling Factors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scannapieco, Anthony J.

2016-06-28

Equation-of-State scaling factors are needed when using a tabular EOS in which the user de ned material isotopic fractions di er from the actual isotopic fractions used by the table. Additionally, if a material is dynamically changing its isotopic structure, then an EOS scaling will again be needed, and will vary in time and location. The procedure that allows use of a table to obtain information about a similar material with average atomic mass Ms and average atomic number Zs is described below. The procedure is exact for a fully ionized ideal gas. However, if the atomic number is replacemore » by the e ective ionization state the procedure can be applied to partially ionized material as well, which extends the applicability of the scaling approximation continuously from low to high temperatures.« less

Atomic layer deposition of TIO{sub 2} thin films on nanoporous alumina templates : medical applications.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Narayan, R. J.; Monteiro-Riviere, N. A.; Brigmon, R. L.

2009-06-01

Nanostructured materials may play a significant role in controlled release of pharmacologic agents for treatment of cancer. Many nanoporous polymer materials are inadequate for use in drug delivery. Nanoporous alumina provides several advantages over other materials for use in controlled drug delivery and other medical applications. Atomic layer deposition was used to coat all the surfaces of a nanoporous alumina membrane in order to reduce the pore size in a controlled manner. Neither the 20 nm nor the 100 nm TiO{sub 2}-coated nanoporous alumina membranes exhibited statistically lower viability compared to the uncoated nanoporous alumina membrane control materials. Nanostructured materialsmore » prepared using atomic layer deposition may be useful for delivering a pharmacologic agent at a precise rate to a specific location in the body. These materials may serve as the basis for 'smart' drug delivery devices, orthopedic implants, or self-sterilizing medical devices.« less

28 CFR 13.2 - Policy.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 28 Judicial Administration 1 2012-07-01 2012-07-01 false Policy. 13.2 Section 13.2 Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.2... material or atomic weapons. The broad scope of this program is to help guard against the loss or diversion...

28 CFR 13.2 - Policy.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Policy. 13.2 Section 13.2 Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.2... material or atomic weapons. The broad scope of this program is to help guard against the loss or diversion...

28 CFR 13.2 - Policy.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 28 Judicial Administration 1 2013-07-01 2013-07-01 false Policy. 13.2 Section 13.2 Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.2... material or atomic weapons. The broad scope of this program is to help guard against the loss or diversion...

28 CFR 13.2 - Policy.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 28 Judicial Administration 1 2014-07-01 2014-07-01 false Policy. 13.2 Section 13.2 Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.2... material or atomic weapons. The broad scope of this program is to help guard against the loss or diversion...

28 CFR 13.2 - Policy.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 28 Judicial Administration 1 2011-07-01 2011-07-01 false Policy. 13.2 Section 13.2 Judicial Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.2... material or atomic weapons. The broad scope of this program is to help guard against the loss or diversion...

Uncertainty quantification in nanomechanical measurements using the atomic force microscope

Treesearch

Ryan Wagner; Robert Moon; Jon Pratt; Gordon Shaw; Arvind Raman

2011-01-01

Quantifying uncertainty in measured properties of nanomaterials is a prerequisite for the manufacture of reliable nanoengineered materials and products. Yet, rigorous uncertainty quantification (UQ) is rarely applied for material property measurements with the atomic force microscope (AFM), a widely used instrument that can measure properties at nanometer scale...

ATOMIC PHYSICS, AN AUTOINSTRUCTIONAL PROGRAM, VOLUME 3, SUPPLEMENT.

ERIC Educational Resources Information Center

DETERLINE, WILLIAM A.; KLAUS, DAVID J.

THE AUTOINSTRUCTIONAL MATERIALS IN THIS TEXT WERE PREPARED FOR USE IN AN EXPERIMENTAL STUDY, OFFERING SELF-TUTORING MATERIAL FOR LEARNING ATOMIC PHYSICS. THE TOPICS COVERED ARE (1) NUCLEAR BINDING ENERGY, (2) DISCOVERY OF RADIOACTIVITY, (3) RADIOACTIVE RADIATIONS, (4) ALPHA AND BETA DECAY, (5) BETA DECAY REACTIONS, (6) RADIOACTIVE DATING AND…

75 FR 59176 - DoD Mandatory Declassification Review (MDR) Program

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-27

... under Section 142 of the Atomic Energy Act of 1954, as amended. Transclassification of Foreign Nuclear... Department of Energy (or antecedent Agencies) and the Department of Defense that such information relates... atomic weapons; (2) Production of special nuclear material; or (3) Use of special nuclear material in the...

Droplet size prediction in the production of drug delivery microsystems by ultrasonic atomization

PubMed Central

Dalmoro, Annalisa; d’Amore, Matteo; Barba, Anna Angela

Microencapsulation processes of drugs or other functional molecules are of great interest in pharmaceutical production fields. Ultrasonic assisted atomization is a new technique to produce microencapsulated systems by mechanical approach. It seems to offer several advantages (low level of mechanical stress in materials, reduced energy request, reduced apparatuses size) with respect to more conventional techniques. In this paper the groundwork of atomization is briefly introduced and correlations to predict droplet size starting from process parameters and material properties are presented. PMID:24251250

Entropic Comparison of Atomic-Resolution Electron Tomography of Crystals and Amorphous Materials.

PubMed

Collins, S M; Leary, R K; Midgley, P A; Tovey, R; Benning, M; Schönlieb, C-B; Rez, P; Treacy, M M J

2017-10-20

Electron tomography bears promise for widespread determination of the three-dimensional arrangement of atoms in solids. However, it remains unclear whether methods successful for crystals are optimal for amorphous solids. Here, we explore the relative difficulty encountered in atomic-resolution tomography of crystalline and amorphous nanoparticles. We define an informational entropy to reveal the inherent importance of low-entropy zone-axis projections in the reconstruction of crystals. In turn, we propose considerations for optimal sampling for tomography of ordered and disordered materials.

New Directions in X-Ray Light Sources or Fiat Lux: what's under the dome and watching atoms with x-rays (LBNL Summer Lecture Series)

ScienceCinema

Falcone, Roger [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Univ. of California, Berkeley, CA (United States). Dept. of Physics

2018-05-04

Summer Lecture Series 2008: Molecular movies of chemical reactions and material phase transformations need a strobe of x-rays, the penetrating light that reveals how atoms and molecules assemble in chemical and biological systems and complex materials. Roger Falcone, Director of the Advanced Light Source,will discuss a new generation of x ray sources that will enable a new science of atomic dynamics on ultrafast timescales.

Atomic electron tomography: 3D structures without crystals

DOE PAGES

Miao, Jianwei; Ercius, Peter; Billinge, S. J. L.

2016-09-23

Crystallography has been fundamental to the development of many fields of science over the last century. However, much of our modern science and technology relies on materials with defects and disorders, and their three-dimensional (3D) atomic structures are not accessible to crystallography. One method capable of addressing this major challenge is atomic electron tomography. By combining advanced electron microscopes and detectors with powerful data analysis and tomographic reconstruction algorithms, it is now possible to determine the 3D atomic structure of crystal defects such as grain boundaries, stacking faults, dislocations, and point defects, as well as to precisely localize the 3Dmore » coordinates of individual atoms in materials without assuming crystallinity. In this work, we review the recent advances and the interdisciplinary science enabled by this methodology. We also outline further research needed for atomic electron tomography to address long-standing unresolved problems in the physical sciences.« less

Advanced applications of cosmic-ray muon radiography

NASA Astrophysics Data System (ADS)

Perry, John

The passage of cosmic-ray muons through matter is dominated by the Coulomb interaction with electrons and atomic nuclei. The muon's interaction with electrons leads to continuous energy loss and stopping through the process of ionization. The muon's interaction with nuclei leads to angular diffusion. If a muon stops in matter, other processes unfold, as discussed in more detail below. These interactions provide the basis for advanced applications of cosmic-ray muon radiography discussed here, specifically: 1) imaging a nuclear reactor with near horizontal muons, and 2) identifying materials through the analysis of radiation lengths weighted by density and secondary signals that are induced by cosmic-ray muon trajectories. We have imaged a nuclear reactor, type AGN-201m, at the University of New Mexico, using data measured with a particle tracker built from a set of sealed drift tubes, the Mini Muon Tracker (MMT). Geant4 simulations were compared to the data for verification and validation. In both the data and simulation, we can identify regions of interest in the reactor including the core, moderator, and shield. This study reinforces our claims for using muon tomography to image reactors following an accident. Warhead and special nuclear materials (SNM) imaging is an important thrust for treaty verification and national security purposes. The differentiation of SNM from other materials, such as iron and aluminum, is useful for these applications. Several techniques were developed for material identification using cosmic-ray muons. These techniques include: 1) identifying the radiation length weighted by density of an object and 2) measuring the signals that can indicate the presence of fission and chain reactions. By combining the radiographic images created by tracking muons through a target plane with the additional fission neutron and gamma signature, we are able to locate regions that are fissionable from a single side. The following materials were imaged with this technique: aluminum, concrete, steel, lead, and uranium. Provided that there is sufficient mass, U-235 could be differentiated from U-238 through muon induced fission.

The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances

PubMed Central

2013-01-01

Halogen bonding is an emerging noncovalent interaction for constructing supramolecular assemblies. Though similar to the more familiar hydrogen bonding, four primary differences between these two interactions make halogen bonding a unique tool for molecular recognition and the design of functional materials. First, halogen bonds tend to be much more directional than (single) hydrogen bonds. Second, the interaction strength scales with the polarizability of the bond-donor atom, a feature that researchers can tune through single-atom mutation. In addition, halogen bonds are hydrophobic whereas hydrogen bonds are hydrophilic. Lastly, the size of the bond-donor atom (halogen) is significantly larger than hydrogen. As a result, halogen bonding provides supramolecular chemists with design tools that cannot be easily met with other types of noncovalent interactions and opens up unprecedented possibilities in the design of smart functional materials. This Account highlights the recent advances in the design of halogen-bond-based functional materials. Each of the unique features of halogen bonding, directionality, tunable interaction strength, hydrophobicity, and large donor atom size, makes a difference. Taking advantage of the hydrophobicity, researchers have designed small-size ion transporters. The large halogen atom size provided a platform for constructing all-organic light-emitting crystals that efficiently generate triplet electrons and have a high phosphorescence quantum yield. The tunable interaction strengths provide tools for understanding light-induced macroscopic motions in photoresponsive azobenzene-containing polymers, and the directionality renders halogen bonding useful in the design on functional supramolecular liquid crystals and gel-phase materials. Although halogen bond based functional materials design is still in its infancy, we foresee a bright future for this field. We expect that materials designed based on halogen bonding could lead to applications in biomimetics, optics/photonics, functional surfaces, and photoswitchable supramolecules. PMID:23805801

Geological constraints for muon tomography: The world beyond standard rock

NASA Astrophysics Data System (ADS)

Lechmann, Alessandro; Mair, David; Ariga, Akitaka; Ariga, Tomoko; Ereditato, Antonio; Käser, Samuel; Nishiyama, Ryuichi; Scampoli, Paola; Vladymyrov, Mykhailo; Schlunegger, Fritz

2017-04-01

In present day muon tomography practice, one often encounters an experimental setup in which muons propagate several tens to a few hundreds of meters through a material to the detector. The goal of such an undertaking is usually centred on an attempt to make inferences from the measured muon flux to an anticipated subsurface structure. This can either be an underground interface geometry or a spatial material distribution. Inferences in this direction have until now mostly been done, thereby using the so called "standard rock" approximation. This includes a set of empirically determined parameters from several rocks found in the vicinity of physicist's laboratories. While this approach is reasonable to account for the effects of the tens of meters of soil/rock around a particle accelerator, we show, that for material thicknesses beyond that dimension, the elementary composition of the material (average atomic weight and atomic number) has a noticeable effect on the measured muon flux. Accordingly, the consecutive use of this approximation could potentially lead into a serious model bias, which in turn, might invalidate any tomographic inference, that base on this standard rock approximation. The parameters for standard rock are naturally close to a granitic (SiO2-rich) composition and thus can be safely used in such environments. As geophysical surveys are not restricted to any particular lithology, we investigated the effect of alternative rock compositions (carbonatic, basaltic and even ultramafic) and consequentially prefer to replace the standard rock approach with a dedicated geological investigation. Structural field data and laboratory measurements of density (He-Pycnometer) and composition (XRD) can be merged into an integrative geological model that can be used as an a priori constraint for the rock parameters of interest (density & composition) in the geophysical inversion. Modelling results show that when facing a non-granitic lithology the measured muon flux can vary up to 20-30%, in the case of carbonates and up to 100% for peridotites, compared to standard rock data.

Large-angle illumination STEM: Toward three-dimensional atom-by-atom imaging

DOE PAGES

Ishikawa, Ryo; Lupini, Andrew R.; Hinuma, Yoyo; ...

2014-11-26

To completely understand and control materials and their properties, it is of critical importance to determine their atomic structures in all three dimensions. Recent revolutionary advances in electron optics – the inventions of geometric and chromatic aberration correctors as well as electron source monochromators – have provided fertile ground for performing optical depth sectioning at atomic-scale dimensions. In this study we theoretically demonstrate the imaging of top/sub-surface atomic structures and identify the depth of single dopants, single vacancies and the other point defects within materials by large-angle illumination scanning transmission electron microscopy (LAI-STEM). The proposed method also allows us tomore » measure specimen properties such as thickness or three-dimensional surface morphology using observations from a single crystallographic orientation.« less

The NASA atomic oxygen effects test program

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Rutledge, Sharon K.; Brady, Joyce A.

1988-01-01

The NASA Atomic Oxygen Effects Test Program was established to compare the low earth orbital simulation characteristics of existing atomic oxygen test facilities and utilize the collective data from a multitude of simulation facilities to promote understanding of mechanisms and erosion yield dependence upon energy, flux, metastables, charge, and environmental species. Four materials chosen for this evaluation include Kapton HN polyimide, FEP Teflon, polyethylene, and graphite single crystals. The conditions and results of atomic oxygen exposure of these materials is reported by the participating organizations and then assembled to identify degrees of dependency of erosion yields that may not be observable from any single atomic oxygen low earth orbital simulation facility. To date, the program includes 30 test facilities. Characteristics of the participating test facilities and results to date are reported.

77 FR 52683 - UChicago Argonne, LLC, Notice of Decision on Applications for Duty-Free Entry of Scientific...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-30

... science. This instrument is specialized for creating artificial nanoscale structures on an atom-by-atom basis using nascent atom manipulation techniques. The instrument will be used to investigate the amount of force required to move one atom on a materials surface while simultaneously measuring local...

Method for continuous control of composition and doping of pulsed laser deposited films

DOEpatents

Lowndes, Douglas H.; McCamy, James W.

1995-01-01

A method for growing a deposit upon a substrate of semiconductor material involves the utilization of pulsed laser deposition techniques within a low-pressure gas environment. The substrate and a target of a first material are positioned within a deposition chamber and a low-pressure gas atmosphere is developed within the chamber. The substrate is then heated, and the target is irradiated, so that atoms of the target material are ablated from the remainder of the target, while atoms of the gas simultaneously are adsorbed on the substrate/film surface. The ablated atoms build up upon the substrate, together with the adsorbed gas atoms to form the thin-film deposit on the substrate. By controlling the pressure of the gas of the chamber atmosphere, the composition of the formed deposit can be controlled, and films of continuously variable composition or doping can be grown from a single target of fixed composition.

Method for continuous control of composition and doping of pulsed laser deposited films by pressure control

DOEpatents

Lowndes, Douglas H.; McCamy, James W.

1996-01-01

A method for growing a deposit upon a substrate of semiconductor material involves the utilization of pulsed laser deposition techniques within a low-pressure gas environment. The substrate and a target of a first material are positioned within a deposition chamber and a low-pressure gas atmosphere is developed within the chamber. The substrate is then heated, and the target is irradiated, so that atoms of the target material are ablated from the remainder of the target, while atoms of the gas simultaneously are adsorbed on the substrate/film surface. The ablated atoms build up upon the substrate, together with the adsorbed gas atoms to form the thin-film deposit on the substrate. By controlling the pressure of the gas of the chamber atmosphere, the composition of the formed deposit can be controlled, and films of continuously variable composition or doping can be grown from a single target of fixed composition.

Evaluation of certain material films flown on the Space Shuttle Mission 46, EOIM-3 experiment

NASA Technical Reports Server (NTRS)

Scialdone, John; Clatterbuck, Carroll; Ayres-Treusdell, Mary; Park, Gloria; Kolos, Diane

1995-01-01

Nine film samples were carried aboard the STS-46 Atlantis shuttle to complement the 'Evaluation of Oxygen Interaction with Materials (EOIM-III)' experiment to evaluate the effects of atomic oxygen on materials and to monitor the gaseous environment in the shuttle bay. The morphological changes of the samples produced by the atomic oxygen fluence of 2.07E-20 atoms/sq cm have been reported. The changes have been verified using X-ray Photoelectron Spectrometer (XPS) also known as Electron Spectroscopy for Chemical Analysis (ESCA), gravimetric measurements, microscopic observations and thermo-optical measurements. The samples including Kapton, Tefzel, Aclar, Polyacrylonitrile film, and Llumalloy films have been characterized by their oxygen reaction efficiency on the basis of their erosion losses and the fluence. Those efficiencies have been compared with results from other similar experiments, when available. The efficiencies of the samples are all in the range of E-24 gm/atom.

Vertical versus Lateral Two-Dimensional Heterostructures: On the Topic of Atomically Abrupt p/n-Junctions.

PubMed

Zhou, Ruiping; Ostwal, Vaibhav; Appenzeller, Joerg

2017-08-09

The key appeal of two-dimensional (2D) materials such as graphene, transition metal dichalcogenides (TMDs), or phosphorene for electronic applications certainly lies in their atomically thin nature that offers opportunities for devices beyond conventional transistors. It is also this property that makes them naturally suited for a type of integration that is not possible with any three-dimensional (3D) material, that is, forming heterostructures by stacking dissimilar 2D materials together. Recently, a number of research groups have reported on the formation of atomically sharp p/n-junctions in various 2D heterostructures that show strong diode-type rectification. In this article, we will show that truly vertical heterostructures do exhibit much smaller rectification ratios and that the reported results on atomically sharp p/n-junctions can be readily understood within the framework of the gate and drain voltage response of Schottky barriers that are involved in the lateral transport.

Observation of crystalline changes of titanium dioxide during lithium insertion by visible spectrum analysis.

PubMed

Nam, Inho; Park, Jongseok; Park, Soomin; Bae, Seongjun; Yoo, Young Geun; Han, Jeong Woo; Yi, Jongheop

2017-05-24

Real-time analysis of changes in the atomic environment of materials is a cutting edge technology that is being used to explain reaction dynamics in many fields of science. Previously, this kind of analysis was only possible using heavy nucleonic equipment such as XANES and EXAFS, or Raman spectroscopy on a moderate scale. Here, a new methodology is described that can be used to track changes in crystalline developments during complex Li insertion reactions via the observation of structural color. To be specific, the changes in atomic crystalline and nanostructure are shown during Li insertion in a complex TiO 2 polymorph. Structural color corresponds to the refractive indices of materials originating from their atomic bonding nature and precise wave interferences in accordance with their nanostructure. Therefore, this new analysis simultaneously reveals changes in the nanostructure as well as changes in the atomic bonding nature of materials.

Atomic oxygen degradation of Intelsat 4-type solar array interconnects: Laboratory investigations

NASA Technical Reports Server (NTRS)

Koontz, S. L.; Cross, J. B.; Hoffbauer, M. A.; Kirkendahl, T. D.

1991-01-01

A Hughes 506 type communication satellite belonging to the Intelsat organization was marooned in low Earth orbit on March 14, 1990, following failure of the Titan third stage to separate properly. The satellite, Intelsat VI, was designed for service in geosynchronous orbit and contains several material configurations which are susceptible to attack by atomic oxygen. Analysis showed the silver foil interconnects in the satellite photovoltaic array to be the key materials issue because the silver is exposed directly to the atomic oxygen ram flux. The results are reported of atomic oxygen degradation testing of Intelsat VI type silver foil interconnects both as virgin material and in a configured solar cell element. Test results indicate that more than 80 pct. of the original thickness of silver in the Intelsat VI solar array interconnects should remain after completion of the proposed Space Shuttle rescue and/or reboost mission.

Proceedings of the NASA Workshop on Atomic Oxygen Effects. [low earth orbital environment

NASA Technical Reports Server (NTRS)

Brinza, David E. (Editor)

1987-01-01

A workshop was held to address the scientific issues concerning the effects of atomic oxygen on materials in the low Earth orbital (LEO) environment. The program included 18 invited speakers plus contributed posters covering topics such as LEO spaceflight experiments, interaction mechanisms, and atomic oxygen source development. Discussion sessions were also held to organize a test program to evaluate atomic oxygen exposure facilities. The key issues raised in the workshop were: (1) the need to develop a reliable predictive model of the effects of long-term exposure of materials to the LEO environment; (2) the ability of ground-based exposure facilities to provide useful data for development of durable materials; and (3) accurate determination of the composition of the LEO environment. These proceedings include the invited papers, the abstracts for the contributed posters, and an account of the test program discussion sessions.

Joint denoising and distortion correction of atomic scale scanning transmission electron microscopy images

NASA Astrophysics Data System (ADS)

Berkels, Benjamin; Wirth, Benedikt

2017-09-01

Nowadays, modern electron microscopes deliver images at atomic scale. The precise atomic structure encodes information about material properties. Thus, an important ingredient in the image analysis is to locate the centers of the atoms shown in micrographs as precisely as possible. Here, we consider scanning transmission electron microscopy (STEM), which acquires data in a rastering pattern, pixel by pixel. Due to this rastering combined with the magnification to atomic scale, movements of the specimen even at the nanometer scale lead to random image distortions that make precise atom localization difficult. Given a series of STEM images, we derive a Bayesian method that jointly estimates the distortion in each image and reconstructs the underlying atomic grid of the material by fitting the atom bumps with suitable bump functions. The resulting highly non-convex minimization problems are solved numerically with a trust region approach. Existence of minimizers and the model behavior for faster and faster rastering are investigated using variational techniques. The performance of the method is finally evaluated on both synthetic and real experimental data.

Determination of tellurium by hydride generation with in situ trapping flame atomic absorption spectrometry

NASA Astrophysics Data System (ADS)

Matusiewicz, Henryk; Krawczyk, Magdalena

2007-03-01

The analytical performance of coupled hydride generation — integrated atom trap (HG-IAT) atomizer flame atomic absorption spectrometry (FAAS) system was evaluated for determination of Te in reference material (GBW 07302 Stream Sediment), coal fly ash and garlic. Tellurium, using formation of H 2Te vapors, is atomized in air-acetylene flame-heated IAT. A new design HG-IAT-FAAS hyphenated technique that would exceed the operational capabilities of existing arrangements (a water-cooled single silica tube, double-slotted quartz tube or an "integrated trap") was investigated. An improvement in detection limit was achieved compared with using either of the above atom trapping techniques separately. The concentration detection limit, defined as 3 times the blank standard deviation (3 σ), was 0.9 ng mL - 1 for Te. For a 2 min in situ pre-concentration time (sample volume of 2 mL), sensitivity enhancement compared to flame AAS, was 222 fold, using the hydride generation — atom trapping technique. The sensitivity can be further improved by increasing the collection time. The precision, expressed as RSD, was 7.0% ( n = 6) for Te. The designs studied include slotted tube, single silica tube and integrated atom trap-cooled atom traps. The accuracy of the method was verified using a certified reference material (GBW 07302 Stream Sediment) by aqueous standard calibration curves. The measured Te contents of the reference material was in agreement with the information value. The method was successfully applied to the determination of tellurium in coal fly ash and garlic.

Liquid crystal alignment in electro-responsive nanostructured thermosetting materials based on block copolymer dispersed liquid crystal.

PubMed

Tercjak, A; Garcia, I; Mondragon, I

2008-07-09

Novel well-defined nanostructured thermosetting systems were prepared by modification of a diglicydylether of bisphenol-A epoxy resin (DGEBA) with 10 or 15 wt% amphiphilic poly(styrene-b-ethylene oxide) block copolymer (PSEO) and 30 or 40 wt% low molecular weight liquid crystal 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) using m-xylylenediamine (MXDA) as a curing agent. The competition between well-defined nanostructured materials and the ability for alignment of the liquid crystal phase in the materials obtained has been studied by atomic and electrostatic force microscopy, AFM and EFM, respectively. Based on our knowledge, this is the first time that addition of an adequate amount (10 wt%) of a block copolymer to 40 wt% HBC-(DGEBA/MXDA) leads to a well-organized nanostructured thermosetting system (between a hexagonal and worm-like ordered structure), which is also electro-responsive with high rate contrast. This behavior was confirmed using electrostatic force microscopy (EFM), by means of the response of the HBC liquid crystal phase to the voltage applied to the EFM tip. In contrast, though materials containing 15 wt% PSEO and 30 wt% HBC also form a well-defined nanostructured thermosetting system, they do not show such a high contrast between the uncharged and charged surface.

Photon interaction study of organic nonlinear optical materials in the energy range 122-1330 keV

NASA Astrophysics Data System (ADS)

Awasarmol, Vishal V.; Gaikwad, Dhammajyot K.; Raut, Siddheshwar D.; Pawar, Pravina P.

2017-01-01

In the present study, the mass attenuation coefficient (μm) of six organic nonlinear optical materials has been calculated in the energy range 122-1330 keV and compared with the obtained values from the WinXCOM program. It is found that there is a good agreement between theoretical and experimental values (<3%). The linear attenuation coefficients (μ) total atomic cross section (σt, a), and total electronic cross section (σt, el) have also been calculated from the obtained μm values and their variations with photon energy have been plotted. From the present work, it is observed that the variation of obtained values of μm, μ, σt, a, and σt, el strongly depends on the photon energy and decreases or increases due to chemical composition and density of the sample. All the samples have been studied extensively using transmission method with a view to utilize the material for radiation dosimetry. Investigated samples are good material for radiation dosimetry due their low effective atomic number. The mass attenuation coefficient (μm), linear attenuation coefficients (μ), total atomic cross section (σt, a), total electronic cross section (σt, el), effective atomic numbers (Zeff), molar extinction coefficient (ε), mass energy absorption coefficient (μen/ρ) and effective atomic energy absorption cross section (σa, en) of all sample materials have been carried out and transmission curves have been plotted. The transmission curve shows that the variation of all sample materials decreases with increasing photon energy.

Radiation Protection of New Lightweight Electromagnetic Interference Shielding Materials Determined

NASA Technical Reports Server (NTRS)

1996-01-01

Weight savings as high as 80 percent could be achieved by simply switching from aluminum electromagnetic interference (EMI) shielding covers for spacecraft power systems to EMI covers made from intercalated graphite fiber composites. Because EMI covers typically make up about one-fifth of the power system mass, this change would decrease the mass of a spacecraft power system by more than 15 percent. Intercalated graphite fibers are made by diffusing guest atoms or molecules, such as bromine, between the carbon planes of the graphite fibers. The resulting bromine-intercalated fibers have mechanical and thermal properties nearly identical to pristine graphite fibers, but their resistivity is lower by a factor of 5, giving them better electrical conductivity than stainless steel and making these composites suitable for EMI shielding.

Polyphosphazenes - New polymers with inorganic backbone atoms

NASA Technical Reports Server (NTRS)

Allcock, H. R.

1976-01-01

Unique and useful properties of the class of nonhydrocarbon, nonhalocarbon, nonsilicone polymers known as polyphosphazenes are discussed at length. These polymers, with molecular weights to 4 million (degree of polymerization 15,000), can be fabricated as tubes, fibers, woven fabrics, flexible films, or plates, and many variants are stable to attack by water, bases, aqueous acids, jet fuels, oils, hydraulic fluids, gasoline, or other hydrocarbons. Rubbery polymers with these properties can be fashioned into flexible hose, fuel hose, gaskets, or O-rings. Since they do not provoke clotting reactions in blood, and reveal no carcinogenic effects to date, they are considered for internal prosthetic applications (replacement bone, temporary skin, heart valves), as biodegradable suturing material, as carriers for slow release of drugs, and as carriers for chemotherapeutic agents against cancers.

Micro-quantity tissue digestion for metal measurements by use of a microwave acid-digestion bomb.

PubMed

Nicholson, J R; Savory, M G; Savory, J; Wills, M R

1989-03-01

We describe a simple and convenient method for processing small amounts of tissue samples for trace-metal measurements by atomic absorption spectrometry, by use of a modified Parr microwave digestion bomb. Digestion proceeds rapidly (less than or equal to 90 s) in a sealed Teflon-lined vessel that eliminates contamination or loss from volatilization. Small quantities of tissue (5-100 mg dry weight) are digested in high-purity nitric acid, yielding concentrations of analyte that can be measured directly without further sample manipulation. We analyzed National Institute of Standards and Technology bovine liver Standard Reference Material to verify the accuracy of the technique. We assessed the applicability of the technique to analysis for aluminum in bone by comparison with a dry ashing procedure.

Atomic layer deposition synthesized TiO{sub x} thin films and their application as microbolometer active materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanrikulu, Mahmud Yusuf, E-mail: mytanrikulu@adanabtu.edu.tr; Rasouli, Hamid Reza; Ghaffari, Mohammad

2016-05-15

This paper demonstrates the possible usage of TiO{sub x} thin films synthesized by atomic layer deposition as a microbolometer active material. Thin film electrical resistance is investigated as a function of thermal annealing. It is found that the temperature coefficient of resistance values can be controlled by coating/annealing processes, and the value as high as −9%/K near room temperature is obtained. The noise properties of TiO{sub x} films are characterized. It is shown that TiO{sub x} films grown by atomic layer deposition technique could have a significant potential to be used as a new active material for microbolometer-based applications.

Slurry burner for mixture of carbonaceous material and water

DOEpatents

Nodd, D.G.; Walker, R.J.

1985-11-05

The present invention is intended to overcome the limitations of the prior art by providing a fuel burner particularly adapted for the combustion of carbonaceous material-water slurries which includes a stationary high pressure tip-emulsion atomizer which directs a uniform fuel into a shearing air flow as the carbonaceous material-water slurry is directed into a combustion chamber, inhibits the collection of unburned fuel upon and within the atomizer, reduces the slurry to a collection of fine particles upon discharge into the combustion chamber, and regulates the operating temperature of the burner as well as primary air flow about the burner and into the combustion chamber for improved combustion efficiency, no atomizer plugging and enhanced flame stability.

Compact Laser System for Field Deployable Ultracold Atom Sensors

NASA Astrophysics Data System (ADS)

Pino, Juan; Luey, Ben; Anderson, Mike

2013-05-01

As ultracold atom sensors begin to see their way to the field, there is a growing need for small, accurate, and robust laser systems to cool and manipulate atoms for sensing applications such as magnetometers, gravimeters, atomic clocks and inertial sensing. In this poster we present a laser system for Rb, roughly the size of a paperback novel, capable of generating and controlling light sufficient for the most complicated of cold atom sensors. The system includes >100dB of non-mechanical, optical shuttering, the ability to create short, microsecond pulses, a Demux stage to port light onto different optical paths, and an atomically referenced, frequency agile laser source. We will present data to support the system, its Size Weight and Power (SWaP) requirements, as well as laser stability and performance. funded under DARPA

Evaluation of selected thermal control coatings for long-life space structures

NASA Technical Reports Server (NTRS)

Teichman, Louis A.; Slemp, Wayne S.; Witte, William G., Jr.

1992-01-01

Graphite-reinforced resin matrix composites are being considered for spacecraft structural applications because of their light weight, high stiffness, and lower thermal expansion. Thin protective coatings with stable optical properties and the proper ratio of solar absorption (alpha sub s) to thermal emittance (epsilon) minimize orbital thermal extremes and protect these materials against space environment degradation. Sputtered coatings applied directly to graphite/epoxy composite surfaces and anodized coatings applied to thin aluminum foil were studied for use both as an atomic oxygen barrier and as thermal control coatings. Additional effort was made to develop nickel-based coatings which could be applied directly to composites. These coating systems were selected because their inherent tenacity made them potentially more reliable than commercial white paints for long-life space missions. Results indicate that anodized aluminum foil coatings are suitable for tubular and flat composite structures on large platforms in low Earth orbit. Anodized foil provides protection against some elements of the natural space environment (atomic oxygen, ultraviolet, and particulate radiation) and offers a broad range of tailored alpha sub s/epsilon. The foil is readily available and can be produced in large quantities, while the anodizing process is a routine commercial technique.

Tuning the dynamic range and sensitivity of optical oxygen-sensors by employing differently substituted polystyrene-derivatives

PubMed Central

Koren, Klaus; Hutter, Lukas; Enko, Barbara; Pein, Andreas; Borisov, Sergey M.; Klimant, Ingo

2013-01-01

Ten different polystyrene-derivatives were tested with respect to their potential use as matrix materials for optical oxygen sensors in combination with the platinum(II) meso-tetra(4-fluorophenyl)tetrabenzoporphyrin as indicator dye. Either halogen atoms or bulky residues were introduced as substituents on the phenyl ring. A fine-tuning of the sensor sensitivity was achieved, without compromising solubility of the indicator in the matrix by providing a chemical environment very similar to polystyrene (PS), a standard matrix in optical oxygen sensors. To put the results into perspective, the studied materials were compared to PS regarding sensitivity of the sensor, molecular weight and glass-transition temperature. The materials promise to be viable alternatives to PS with respect to the requirements posed in various sensor application fields. Some of the polymers (e.g. poly(2,6-dichlorostyrene)) promise to be of use in applications requiring measurements from 0 to 100% oxygen due to linearity across this range. Poly(4-tert-butylstyrene) and poly(2,6-fluorostyrene), on the other hand, yield sensors with increased sensitivity. Sensor stability was evaluated as a function of the matrix, a topic which has not received a lot of interest so far. PMID:23576846

Self-Assembly and Nanostructures in Organogels Based on a Bolaform Cholesteryl Imide Compound with Conjugated Aromatic Spacer

PubMed Central

Jiao, Ti-Feng; Gao, Feng-Qing; Shen, Xi-Hai; Zhang, Qing-Rui; Zhang, Xian-Fu; Zhou, Jing-Xin; Gao, Fa-Ming

2013-01-01

The self-assembly of small functional molecules into supramolecular structures is a powerful approach toward the development of new nanoscale materials and devices. As a class of self-assembled materials, low weight molecular organic gelators, organized in special nanoarchitectures through specific non-covalent interactions, has become one of the hot topics in soft matter research due to their scientific values and many potential applications. Here, a bolaform cholesteryl imide compound with conjugated aromatic spacer was designed and synthesized. The gelation behaviors in 23 solvents were investigated as efficient low-molecular-mass organic gelator. The experimental results indicated that the morphologies and assembly modes of as-formed organogels can be regulated by changing the kinds of organic solvents. Scanning electron microscopy and atomic force microscopy observations revealed that the gelator molecule self-assemble into different aggregates, from wrinkle and belt to fiber with the change of solvents. Spectral studies indicated that there existed different H-bond formations between imide groups and assembly modes. Finally, some rational assembly modes in organogels were proposed and discussed. The present work may give some insight to the design and character of new organogelators and soft materials with special structures. PMID:28788428

Functionalized graphene-Pt composites for fuel cells and photoelectrochemical cells

DOEpatents

Diankov, Georgi; An, Jihwan; Park, Joonsuk; Goldhaber, David J. K.; Prinz, Friedrich B.

2017-08-29

A method of growing crystals on two-dimensional layered material is provided that includes reversibly hydrogenating a two-dimensional layered material, using a controlled radio-frequency hydrogen plasma, depositing Pt atoms on the reversibly hydrogenated two-dimensional layered material, using Atomic Layer Deposition (ALD), where the reversibly hydrogenated two-dimensional layered material promotes loss of methyl groups in an ALD Pt precursor, and forming Pt-O on the reversibly hydrogenated two-dimensional layered material, using combustion by O.sub.2, where the Pt-O is used for subsequent Pt half-cycles of the ALD process, where growth of Pt crystals occurs.

Atomic-Scale Design, Synthesis and Characterization of Two-Dimensional Material Interfaces

NASA Astrophysics Data System (ADS)

Kiraly, Brian Thomas

The reduction of material dimensions to near atomic-scales leads to changes in the properties of these materials. The most recent development in reduced dimensionality is the isolation of atomically thin materials with 2 "bulk" or large-scale dimensions. The isolation of a single plane of carbon atoms has thus paved the way for the study of material properties when one of three dimensions is confined. Early studies revealed a wealth of exotic physical phenomena in these two-dimensional (2D) layers due to the valence and crystalline symmetry of the materials, focusing primarily on understanding the intrinsic properties of the system. Recent studies have begun to investigate the influence that the surroundings have on the 2D material properties and how those effects may be used to tune the composite system properties. In this thesis, I will examine the synthesis and characterization of these 2D interfaces to understand how the constituents impact the overall observations and discuss how these interfaces might be used to deliberately manipulate 2D materials. I will begin by demonstrating how ultra-high vacuum (UHV) conditions enable the preparation and synthesis of 2D materials on air-unstable surfaces by utilizing a characteristic example of crystalline silver. The lack of catalytic activity of silver toward carbon-containing precursors is overcome by using atomic carbon to grow the graphene on the surface. The resulting system provides unique insight into graphene-metal interactions as it marks the lower boundary for graphene-metal interaction strength. I will then show how new 2D materials can be grown utilizing this growth motif, demonstrating the methodology with elemental silicon. The atomically thin 2D silicon grown on the silver surfaces clearly demonstrates a diamond-cubic crystal structure, including an electronic bandgap of 1eV. This work marks the realization of both a new 2D semiconductor and the direct scaling limit for bulk sp3 silicon. The common growth technique is extended to integrate the two 2D materials onto the same silver surface under vacuum conditions; these new interfaces reveal characteristics of van der Waals interactions and electronic decoupling from the metallic substrate. The heterogeneous 2D system provides key insight into the competition between physical and chemical interactions in this novel material system. Finally, a larger scale graphene-semiconductor interface is examined between graphene and crystalline germanium. The covalent-bonding of the germanium crystal provides strong anisotropy at the surface, leading to symmetry-dependent growth and behavior. These systems show unique tunability afforded by strain at the interface, leading to the potential for wafer-scale manipulation. These results clearly call for the treatment of 2D material interfaces as composite material systems, with effective properties derived from each constituent material.

ATOMIC PHYSICS, AN AUTOINSTRUCTIONAL PROGRAM, VOLUME 4, SUPPLEMENT.

ERIC Educational Resources Information Center

DETERLINE, WILLIAM A.; KLAUS, DAVID J.

THE AUTOINSTRUCTIONAL MATERIALS IN THIS TEXT WERE PREPARED FOR USE IN AN EXPERIMENTAL STUDY, OFFERING SELF-TUTORING MATERIAL FOR LEARNING ATOMIC PHYSICS. THE TOPICS COVERED ARE (1) RADIATION USES AND NUCLEAR FISSION, (2) NUCLEAR REACTORS, (3) ENERGY FROM NUCLEAR REACTORS, (4) NUCLEAR EXPLOSIONS AND FUSION, (5) A COMPREHENSIVE REVIEW, AND (6) A…

Spectroscopic wear detector

NASA Technical Reports Server (NTRS)

Madzsar, George C. (Inventor)

1993-01-01

The elemental composition of a material exposed to hot gases and subjected to wear is determined. Atoms of an elemental species not appearing in this material are implanted in a surface at a depth based on the maximum allowable wear. The exhaust gases are spectroscopically monitored to determine the exposure of these atoms when the maximum allowable wear is reached.

Computational techniques in tribology and material science at the atomic level

NASA Technical Reports Server (NTRS)

Ferrante, J.; Bozzolo, G. H.

1992-01-01

Computations in tribology and material science at the atomic level present considerable difficulties. Computational techniques ranging from first-principles to semi-empirical and their limitations are discussed. Example calculations of metallic surface energies using semi-empirical techniques are presented. Finally, application of the methods to calculation of adhesion and friction are presented.

40 CFR 122.2 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

..., radioactive materials (except those regulated under the Atomic Energy Act of 1954, as amended (42 U.S.C. 2011... ground or surface water resources. Note: Radioactive materials covered by the Atomic Energy Act are those... 48 FR 14153, Apr. 1, 1983. (Clean Water Act (33 U.S.C. 1251 et seq.), Safe Drinking Water Act (42 U.S...

40 CFR 122.2 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

..., radioactive materials (except those regulated under the Atomic Energy Act of 1954, as amended (42 U.S.C. 2011... ground or surface water resources. Note: Radioactive materials covered by the Atomic Energy Act are those... 48 FR 14153, Apr. 1, 1983. (Clean Water Act (33 U.S.C. 1251 et seq.), Safe Drinking Water Act (42 U.S...

40 CFR 122.2 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., radioactive materials (except those regulated under the Atomic Energy Act of 1954, as amended (42 U.S.C. 2011... ground or surface water resources. Note: Radioactive materials covered by the Atomic Energy Act are those... 48 FR 14153, Apr. 1, 1983. (Clean Water Act (33 U.S.C. 1251 et seq.), Safe Drinking Water Act (42 U.S...

Atomic-scale friction modulated by potential corrugation in multi-layered graphene materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhuang, Chunqiang, E-mail: chunqiang.zhuang@bjut.edu.cn; Liu, Lei

2015-03-21

Friction is an important issue that has to be carefully treated for the fabrication of graphene-based nano-scale devices. So far, the friction mechanism of graphene materials on the atomic scale has not yet been clearly presented. Here, first-principles calculations were employed to unveil the friction behaviors and their atomic-scale mechanism. We found that potential corrugations on sliding surfaces dominate the friction force and the friction anisotropy of graphene materials. Higher friction forces correspond to larger corrugations of potential energy, which are tuned by the number of graphene layers. The friction anisotropy is determined by the regular distributions of potential energy.more » The sliding along a fold-line path (hollow-atop-hollow) has a relatively small potential energy barrier. Thus, the linear sliding observed in macroscopic friction experiments may probably be attributed to the fold-line sliding mode on the atomic scale. These findings can also be extended to other layer-structure materials, such as molybdenum disulfide (MoS{sub 2}) and graphene-like BN sheets.« less

The role of electronic mechanisms in surface erosion and glow phenomena

NASA Technical Reports Server (NTRS)

Haglund, Richard F., Jr.

1987-01-01

Experimental studies of desorption induced by electronic transitions (DIET) are described. Such studies are producing an increasingly complete picture of the dynamical pathways through which incident electronic energy is absorbed and rechanneled to produce macroscopic erosion and glow. These mechanistic studies can determine rate constants for erosion and glow processes in model materials and provide valuable guidance in materials selection and development. Extensive experiments with electron, photon, and heavy particle irradiation of alkali halides and other simple model materials have produced evidence showing that: (1) surface erosion, consisting primarily in the ejection or desorption of ground-state neutral atoms, occurs with large efficiencies for all irradiated species; (2) surface glow, resulting from the radiative decay of desorbed atoms, likewise occurs for all irradiating species; (3) the typical mechanism for ground-state neutral desorption is exciton formation, followed by relaxation to a permanent, mobile electronic defect which is the precursor to bond-breaking in the surface or near-surface bulk of the material; and (4) the mechanisms for excited atom formation may include curve crossing in atomic collisions, interactions with surface defect or impurity states, or defect diffusion.

The Physical Properties of a Lavage Mixture of Pulmonary Surfactant, Perfluorodecaline, and Methylprednisolone (Perfactant Lavage)

DTIC Science & Technology

2014-05-09

release: distribution unlimited Purpose: To characterize the physical properties of a lavage mixture of pulmonary surfactant, perfluorocarbon and...methylprednisolone. Background: Perfluorocarbons (PFCs) are compounds derived from hydrocarbons by the substitution of hydrogen atoms with fluorine...atoms. Perfluorocarbon liquids are colorless, odorless and biologically inert. They are highly dense, due to their molecular weight. Their low

Quantum engineering of transistors based on 2D materials heterostructures

NASA Astrophysics Data System (ADS)

Iannaccone, Giuseppe; Bonaccorso, Francesco; Colombo, Luigi; Fiori, Gianluca

2018-03-01

Quantum engineering entails atom-by-atom design and fabrication of electronic devices. This innovative technology that unifies materials science and device engineering has been fostered by the recent progress in the fabrication of vertical and lateral heterostructures of two-dimensional materials and by the assessment of the technology potential via computational nanotechnology. But how close are we to the possibility of the practical realization of next-generation atomically thin transistors? In this Perspective, we analyse the outlook and the challenges of quantum-engineered transistors using heterostructures of two-dimensional materials against the benchmark of silicon technology and its foreseeable evolution in terms of potential performance and manufacturability. Transistors based on lateral heterostructures emerge as the most promising option from a performance point of view, even if heterostructure formation and control are in the initial technology development stage.

Quantum engineering of transistors based on 2D materials heterostructures.

PubMed

Iannaccone, Giuseppe; Bonaccorso, Francesco; Colombo, Luigi; Fiori, Gianluca

2018-03-01

Quantum engineering entails atom-by-atom design and fabrication of electronic devices. This innovative technology that unifies materials science and device engineering has been fostered by the recent progress in the fabrication of vertical and lateral heterostructures of two-dimensional materials and by the assessment of the technology potential via computational nanotechnology. But how close are we to the possibility of the practical realization of next-generation atomically thin transistors? In this Perspective, we analyse the outlook and the challenges of quantum-engineered transistors using heterostructures of two-dimensional materials against the benchmark of silicon technology and its foreseeable evolution in terms of potential performance and manufacturability. Transistors based on lateral heterostructures emerge as the most promising option from a performance point of view, even if heterostructure formation and control are in the initial technology development stage.

Studies of ionizing radiation shielding effectiveness of silica-based commercial glasses used in Bangladeshi dwellings

NASA Astrophysics Data System (ADS)

Yasmin, Sabina; Barua, Bijoy Sonker; Khandaker, Mayeen Uddin; Chowdhury, Faruque-Uz-Zaman; Rashid, Md. Abdur; Bradley, David A.; Olatunji, Michael Adekunle; Kamal, Masud

2018-06-01

Following the rapid growing economy, the Bangladeshi dwellers are replacing their traditional (mud-, bamboo-, and wood-based) houses to modern multistoried buildings, where different types of glasses are being used as decorative as well as structural materials due to their various advantageous properties. In this study, we inquire the protective and dosimetric capability of commercial glasses for ionizing radiation. Four branded glass samples (PHP-Bangladesh, Osmania-Bangladesh, Nasir-Bangladesh, and Rider-China) of same thickness and color but different elemental weight fractions were analyzed for shielding and dosimetric properties. The chemical composition of the studied material was evaluated by EDX technique. A well-shielded HPGe γ-ray spectrometer combined with associated electronics was used to evaluate the attenuation coefficients of the studied materials for 59 keV, 661 keV, 1173 keV and 1332 keV photon energies. A number of shielding parameters- half value layer (HVL), radiation protection efficiency (RPE) and effective atomic number (Zeff) were also evaluated. The data were compared with the available literature (where applicable) to understand its shielding capability relative to the standard materials such as lead. Among the studied brands, Rider (China) shows relatively better indices to be used as ionizing radiation shielding material. The obtained, Zeff of the studied glass samples showed comparable values to the TLD-200 dosimeter, thus considered suitable for environmental radiation monitoring purposes.

Flame Synthesis Used to Create Metal-Catalyzed Carbon Nanotubes

NASA Technical Reports Server (NTRS)

VanderWal, Randy L.

2001-01-01

Metal-catalyzed carbon nanotubes are highly ordered carbon structures of nanoscale dimensions. They may be thought of as hollow cylinders whose walls are formed by single atomic layers of graphite. Such cylinders may be composed of many nested, concentric atomic layers of carbon or only a single layer, the latter forming a single-walled carbon nanotube. This article reports unique results using a flame for their synthesis. Only recently were carbon nanotubes discovered within an arc discharge and recognized as fullerene derivatives. Today metal-catalyzed carbon nanotubes are of great interest for many reasons. They can be used as supports for the metal catalysts like those found in catalytic converters. Open-ended nanotubes are highly desirable because they can be filled by other elements, metals or gases, for battery and fuel cell applications. Because of their highly crystalline structure, they are significantly stronger than the commercial carbon fibers that are currently available (10 times as strong as steel but possessing one-sixth of the weight). This property makes them highly desirable for strengthening polymer and ceramic composite materials. Current methods of synthesizing carbon nanotubes include thermal pyrolysis of organometallics, laser ablation of metal targets within hydrocarbon atmospheres at high temperatures, and arc discharges. Each of these methods is costly, and it is unclear if they can be scaled for the commercial synthesis of carbon nanotubes. In contrast, flame synthesis is an economical means of bulk synthesis of a variety of aerosol materials such as carbon black. Flame synthesis of carbon nanotubes could potentially realize an economy of scale that would enable their use in common structural materials such as car-body panels. The top figure is a transmission electron micrograph of a multiwalled carbon nanotube. The image shows a cross section of the atomic structure of the nanotube. The dark lines are individual atomic layer planes of carbon, seen here in cross section. They form a nested series of concentric cylinders, much like the growth rings on a tree. This sample was obtained by the supported catalyst method, whereby the nanoscale catalysts are dispersed on a substrate providing their support. The substrate with catalyst particles was immersed within an acetylene diffusion flame to which nitrogen had been added to eliminate soot formation. Upon removal from the flame, the nanotubes were dispersed on a holder suitable for electron microscopy. Although not seen in the figure, the tube diameter reflects that of the catalyst particle.

Order within disorder: The atomic structure of ion-beam sputtered amorphous tantala (a-Ta₂O₅)

DOE PAGES

Bassiri, Riccardo; Liou, Franklin; Abernathy, Matthew R.; ...

2015-03-01

Amorphous tantala (a-Ta₂O₅) is a technologically important material often used in high-performance coatings. Understanding this material at the atomic level provides a way to further improve performance. This work details extended X-ray absorption fine structure measurements of a-Ta₂O₅ coatings, where high-quality experimental data and theoretical fits have allowed a detailed interpretation of the nearest-neighbor distributions. It was found that the tantalum atom is surrounded by four shells of atoms in sequence; oxygen, tantalum, oxygen, and tantalum. A discussion is also included on how these models can be interpreted within the context of published crystalline Ta₂O₅ and other a-T₂O₅ studies.

Deuterium enrichment by selective photo-induced dissociation of an organic carbonyl compound

DOEpatents

Marling, John B.

1981-01-01

A method for producing a deuterium enriched material by photoinduced dissociation which uses as the working material a gas phase photolytically dissociable organic carbonyl compound containing at least one hydrogen atom bonded to an atom which is adjacent to a carbonyl group and consisting of molecules wherein said hydrogen atom is present as deuterium and molecules wherein said hydrogen atom is present as another isotope of hydrogen. The organic carbonyl compound is subjected to intense infrared radiation at a preselected wavelength to selectively excite and thereby induce dissociation of the deuterium containing species to yield a deuterium enriched stable molecular product. Undissociated carbonyl compound, depleted in deuterium, is preferably redeuterated for reuse.

Determination of selected elements in whole coal and in coal ash from the eight argonne premium coal samples by atomic absorption spectrometry, atomic emission spectrometry, and ion-selective electrode

USGS Publications Warehouse

Doughten, M.W.; Gillison, J.R.

1990-01-01

Methods for the determination of 24 elements in whole coal and coal ash by inductively coupled argon plasma-atomic emission spectrometry, flame, graphite furnace, and cold vapor atomic absorption spectrometry, and by ion-selective electrode are described. Coal ashes were analyzed in triplicate to determine the precision of the methods. Results of the analyses of NBS Standard Reference Materials 1633, 1633a, 1632a, and 1635 are reported. Accuracy of the methods is determined by comparison of the analysis of standard reference materials to their certified values as well as other values in the literature.

First-principles studies of a photovoltaic material based on silicon heavily codoped with sulfur and nitrogen

NASA Astrophysics Data System (ADS)

Dong, Xiao; Wang, Yongyong; Song, Xiaohui; Yang, Feng

2018-03-01

In silicon co-hyperdoped with nitrogen and sulfur, dopant atoms tend to form dimers in the near-equilibrium process. The dimer that contains substitutional N and S atoms has the lowest formation energy and can form an impurity band that overlaps with the conduction band (CB). When separating the two atoms far apart from each other, the impurity band is clearly isolated from the CB and becomes an intermediate band (IB). The sub-band-gap absorption decreases with the decrease in the substitutional atom distance. The sub-band-gap absorption of the material is the combined effect of the configurations with different N-S distances.

Surface loss probability of atomic hydrogen for different electrode cover materials investigated in H₂-Ar low-pressure plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sode, M., E-mail: maik.sode@ipp.mpg.de; Schwarz-Selinger, T.; Jacob, W.

2014-07-07

In an inductively coupled H₂-Ar plasma at a total pressure of 1.5 Pa, the influence of the electrode cover material on selected line intensities of H, H₂, and Ar are determined by optical emission spectroscopy and actinometry for the electrode cover materials stainless steel, copper, tungsten, Macor{sup ®}, and aluminum. Hydrogen dissociation degrees for the considered conditions are determined experimentally from the measured emission intensity ratios. The surface loss probability β{sub H} of atomic hydrogen is correlated with the measured line intensities, and β{sub H} values are determined for the considered materials. Without the knowledge of the atomic hydrogen temperature,more » β{sub H} cannot be determined exactly. However, ratios of β{sub H} values for different surface materials are in first order approximation independent of the atomic hydrogen temperature. Our results show that β{sub H} of copper is equal to the value of stainless steel, β{sub H} of Macor{sup ®} and tungsten is about 2 times smaller and β{sub H} of aluminum about 5 times smaller compared with stainless steel. The latter ratio is in reasonable agreement with literature. The influence of the atomic hydrogen temperature T{sub H} on the absolute value is thoroughly discussed. For our assumption of T{sub H}=600 K, we determine a β{sub H} for stainless steel of 0.39±0.13.« less

Remote laser evaporative molecular absorption spectroscopy

NASA Astrophysics Data System (ADS)

Hughes, Gary B.; Lubin, Philip; Cohen, Alexander; Madajian, Jonathan; Kulkarni, Neeraj; Zhang, Qicheng; Griswold, Janelle; Brashears, Travis

2016-09-01

We describe a novel method for probing bulk molecular and atomic composition of solid targets from a distant vantage. A laser is used to melt and vaporize a spot on the target. With sufficient flux, the spot temperature rises rapidly, and evaporation of surface materials occurs. The melted spot creates a high-temperature blackbody source, and ejected material creates a plume of surface materials in front of the spot. Molecular and atomic absorption occurs as the blackbody radiation passes through the ejected plume. Bulk molecular and atomic composition of the surface material is investigated by using a spectrometer to view the heated spot through the ejected plume. The proposed method is distinct from current stand-off approaches to composition analysis, such as Laser-Induced Breakdown Spectroscopy (LIBS), which atomizes and ionizes target material and observes emission spectra to determine bulk atomic composition. Initial simulations of absorption profiles with laser heating show great promise for Remote Laser-Evaporative Molecular Absorption (R-LEMA) spectroscopy. The method is well-suited for exploration of cold solar system targets—asteroids, comets, planets, moons—such as from a spacecraft orbiting the target. Spatial composition maps could be created by scanning the surface. Applying the beam to a single spot continuously produces a borehole or trench, and shallow subsurface composition profiling is possible. This paper describes system concepts for implementing the proposed method to probe the bulk molecular composition of an asteroid from an orbiting spacecraft, including laser array, photovoltaic power, heating and ablation, plume characteristics, absorption, spectrometry and data management.

Molecular Weight Effects on the Viscoelastic Response of a Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2000-01-01

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC -SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of each material with different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have increased creep compliance and creep compliance rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of approximately 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly.

Separation of gases through gas enrichment membrane composites

DOEpatents

Swedo, R.J.; Kurek, P.R.

1988-07-19

Thin film composite membranes having as a permselective layer a film of a homopolymer of certain vinyl alkyl ethers are useful in the separation of various gases. Such homopolymers have a molecular weight of greater than 30,000 and the alkyl group of the vinyl alkyl monomer has from 4 to 20 carbon atoms with branching within the alkyl moiety at least at the carbon atom bonded to the ether oxygen or at the next adjacent carbon atom. These membranes show excellent hydrolytic stability, especially in the presence of acidic or basic gaseous components.

Separation of gases through gas enrichment membrane composites

DOEpatents

Swedo, Raymond J.; Kurek, Paul R.

1988-01-01

Thin film composite membranes having as a permselective layer a film of a homopolymer of certain vinyl alkyl ethers are useful in the separation of various gases. Such homopolymers have a molecular weight of greater than 30,000 and the alkyl group of the vinyl alkyl monomer has from 4 to 20 carbon atoms with branching within the alkyl moiety at least at the carbon atom bonded to the ether oxygen or at the next adjacent carbon atom. These membranes show excellent hydrolytic stability, especially in the presence of acidic or basic gaseous components.

Process for making ultra-fine ceramic particles

DOEpatents

Stangle, Gregory C.; Venkatachari, Koththavasal R.; Ostrander, Steven P.; Schulze, Walter A.

1995-01-01

A process for producing ultra-fine ceramic particles in which droplets are formed from a ceramic precursor mixture containing a metal cation, a nitrogen-containing fuel, a solvent, and an anion capable of participating in an anionic oxidation-reduction reaction with the nitrogen containing fuel. The nitrogen-containing fuel contains at least three nitrogen atoms, at least one oxygen atom, and at least one carbon atom. The ceramic precursor mixture is dried to remove at least 85 weight percent of the solvent, and the dried mixture is then ignited to form a combusted powder.

Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution.

PubMed

Al-Azawi, Khalida F; Al-Baghdadi, Shaimaa B; Mohamed, Ayad Z; Al-Amiery, Ahmed A; Abed, Talib K; Mohammed, Salam A; Kadhum, Abdul Amir H; Mohamad, Abu Bakar

2016-01-01

The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy (SEM). ATC was synthesized, and its chemical structure was elucidated and confirmed using spectroscopic techniques (infrared and nuclear magnetic resonance spectroscopy). The results indicated that inhibition efficiencies were enhanced with an increase in concentration of inhibitor and decreased with a rise in temperature. The adsorption equilibrium constant (K) and standard free energy of adsorption (ΔGads) were calculated. Quantum chemical parameters such as highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy (EHOMO and ELUMO, respectively) and dipole moment (μ) were calculated and discussed. The results showed that the corrosion inhibition efficiency increased with an increase in both the EHOMO and μ values but with a decrease in the ELUMO value. Our research show that the synthesized macromolecule represents an excellent inhibitor for materials in acidic solutions. The efficiency of this macromolecule had maximum inhibition efficiency up to 96 % at 0.5 mM and diminishes with a higher temperature degree, which is revealing of chemical adsorption. An inhibitor molecule were absorbed by metal surface and follow Langmuir isotherms low and establishes an efficient macromolecule inhibitor having excellent inhibitive properties due to entity of S (sulfur) atom, N (nitrogen) atom and O (oxygen) atom.

Correlation of materials properties with the atomic density concept

NASA Technical Reports Server (NTRS)

1975-01-01

Based on the hypothesis that the number of atoms per unit volume, accurately calculable for any substance of known real density and chemical composition, various characterizing parameters (energy levels of electrons interacting among atoms of the same or different kinds, atomic mass, bond intensity) were chosen for study. A multiple exponential equation was derived to express the relationship. Various properties were examined, and correlated with the various parameters. Some of the properties considered were: (1) heat of atomization, (2) boiling point, (3) melting point, (4) shear elastic modulus of cubic crystals, (5) thermal conductivity, and (6) refractive index for transparent substances. The solid elements and alkali halides were the materials studied. It is concluded that the number of different properties can quantitively be described by a common group of parameters for the solid elements, and a wide variety of compounds.

Teaching of social and philosophical background to atomic theory

NASA Astrophysics Data System (ADS)

Lühl, Jutta

1992-06-01

The history of atomic theory is outlined from earliest times up to the orbital model, and a corresponding teaching method described. The first, historical part of the paper emphasizes social and philosophical aspects in the development of atomic theory. The following milestones are dealt with: the development of the concept of matter from Greek mythology up to the atom; the spreading of Arab philosophy to the Occident during the Middle Ages; the conflict between the church and its opponents in the Middle Ages about the nature of the individual and society; and the status of atomic theory at the time of Newton, and its final acceptance after Dalton. The second part of the paper describes a method for teaching this material at secondary level, in which students are encouraged to make their own conclusions from the range of material offered.

Corrosion resistant amorphous metals and methods of forming corrosion resistant amorphous metals

DOEpatents

Farmer, Joseph C.; Wong, Frank M.G.; Haslam, Jeffery J.; Yang, Nancy; Lavernia, Enrique J.; Blue, Craig A.; Graeve, Olivia A.; Bayles, Robert; Perepezko, John H.; Kaufman, Larry; Schoenung, Julie; Ajdelsztajn, Leo

2014-07-15

A system for coating a surface comprises providing a source of amorphous metal, providing ceramic particles, and applying the amorphous metal and the ceramic particles to the surface by a spray. The coating comprises a composite material made of amorphous metal that contains one or more of the following elements in the specified range of composition: yttrium (.gtoreq.1 atomic %), chromium (14 to 18 atomic %), molybdenum (.gtoreq.7 atomic %), tungsten (.gtoreq.1 atomic %), boron (.ltoreq.5 atomic %), or carbon (.gtoreq.4 atomic %).

Corrosion resistant amorphous metals and methods of forming corrosion resistant amorphous metals

DOEpatents

Farmer, Joseph C [Tracy, CA; Wong, Frank M. G. [Livermore, CA; Haslam, Jeffery J [Livermore, CA; Yang, Nancy [Lafayette, CA; Lavernia, Enrique J [Davis, CA; Blue, Craig A [Knoxville, TN; Graeve, Olivia A [Reno, NV; Bayles, Robert [Annandale, VA; Perepezko, John H [Madison, WI; Kaufman, Larry [Brookline, MA; Schoenung, Julie [Davis, CA; Ajdelsztajn, Leo [Walnut Creek, CA

2009-11-17

A system for coating a surface comprises providing a source of amorphous metal, providing ceramic particles, and applying the amorphous metal and the ceramic particles to the surface by a spray. The coating comprises a composite material made of amorphous metal that contains one or more of the following elements in the specified range of composition: yttrium (.gtoreq.1 atomic %), chromium (14 to 18 atomic %), molybdenum (.gtoreq.7 atomic %), tungsten (.gtoreq.1 atomic %), boron (.ltoreq.5 atomic %), or carbon (.gtoreq.4 atomic %).

Linear electric field time-of-flight ion mass spectrometer

DOEpatents

Funsten, Herbert O [Los Alamos, NM; Feldman, William C [Los Alamos, NM

2008-06-10

A linear electric field ion mass spectrometer having an evacuated enclosure with means for generating a linear electric field located in the evacuated enclosure and means for injecting a sample material into the linear electric field. A source of pulsed ionizing radiation injects ionizing radiation into the linear electric field to ionize atoms or molecules of the sample material, and timing means determine the time elapsed between ionization of atoms or molecules and arrival of an ion out of the ionized atoms or molecules at a predetermined position.

Formation of nanometer-size wires using infiltration into latent nuclear tracks

DOEpatents

Musket, Ronald G.; Felter, Thomas E.

2002-01-01

Nanometer-size wires having a cross-sectional dimension of less than 8 nm with controllable lengths and diameters are produced by infiltrating latent nuclear or ion tracks formed in trackable materials with atomic species. The trackable materials and atomic species are essentially insoluble in each other, thus the wires are formed by thermally driven, self-assembly of the atomic species during annealing, or re-crystallization, of the damage in the latent tracks. Unlike conventional ion track lithography, the inventive method does not require etching of the latent tracks.

Enhanced nitrogen diffusion induced by atomic attrition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ochoa, E.A.; Figueroa, C.A.; Czerwiec, T.

2006-06-19

The nitrogen diffusion in steel is enhanced by previous atomic attrition with low energy xenon ions. The noble gas bombardment generates nanoscale texture surfaces and stress in the material. The atomic attrition increases nitrogen diffusion at lower temperatures than the ones normally used in standard processes. The stress causes binding energy shifts of the Xe 3d{sub 5/2} electron core level. The heavy ion bombardment control of the texture and stress of the material surfaces may be applied to several plasma processes where diffusing species are involved.

Porting LAMMPS to GPUs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, William Michael; Plimpton, Steven James; Wang, Peng

2010-03-01

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.

28 CFR 13.1 - Purpose.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.1 Purpose. This part implements the responsibility given to the Attorney General under the Atomic Weapons... entitled to a reward for furnishing certain original information to the United States pertaining to atomic...

28 CFR 13.1 - Purpose.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.1 Purpose. This part implements the responsibility given to the Attorney General under the Atomic Weapons... entitled to a reward for furnishing certain original information to the United States pertaining to atomic...

28 CFR 13.1 - Purpose.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.1 Purpose. This part implements the responsibility given to the Attorney General under the Atomic Weapons... entitled to a reward for furnishing certain original information to the United States pertaining to atomic...

28 CFR 13.1 - Purpose.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.1 Purpose. This part implements the responsibility given to the Attorney General under the Atomic Weapons... entitled to a reward for furnishing certain original information to the United States pertaining to atomic...

28 CFR 13.1 - Purpose.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Administration DEPARTMENT OF JUSTICE ATOMIC WEAPONS AND SPECIAL NUCLEAR MATERIALS REWARDS REGULATIONS § 13.1 Purpose. This part implements the responsibility given to the Attorney General under the Atomic Weapons... entitled to a reward for furnishing certain original information to the United States pertaining to atomic...

Characterisation of β-tricalcium phosphate-based bone substitute materials by electron paramagnetic resonance spectroscopy

NASA Astrophysics Data System (ADS)

Matković, Ivo; Maltar-Strmečki, Nadica; Babić-Ivančić, Vesna; Dutour Sikirić, Maja; Noethig-Laslo, Vesna

2012-10-01

β-TCP based materials are frequently used as dental implants. Due to their resorption in the body and direct contact with tissues, in order to inactivate bacteria, fungal spores and viruses, they are usually sterilized by γ-irradiation. However, the current literature provides little information about effects of the γ-irradiation on the formation and stability of the free radicals in the bone graft materials during and after sterilization procedure. In this work five different bone graft substitution materials, composed of synthetic beta tricalcium phosphate (β-TCP) and hydroxyapatite (HAP) present in the market were characterized by electron paramagnetic resonance (EPR) spectroscopy, X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA). Paramagnetic species Mn2+, Fe3+, trapped H-atoms and CO2- radicals were detected in the biphasic material (60% HAP, 40% β-TCP), while in β-TCP materials only Mn2+ andor trapped hydrogen atoms were detected. EPR analysis revealed the details of the structure of these materials at the atomic level. The results have shown that EPR spectroscopy is a method which can be used to improve the quality control of bone graft materials after syntering, processing and sterilization procedure.

Semiconductive materials and associated uses thereof

DOEpatents

Lynn, Kelvin [Pullman, WA; Jones, Kelly [Colfax, WA; Ciampi, Guido [Waltham, MA

2011-11-01

High rate radiation detectors are disclosed herein. The detectors include a detector material disposed inside the container, the detector material containing cadmium, tellurium, and zinc, a first dopant containing at least one of aluminum, chlorine, and indium, and a second dopant containing a rare earth metal. The first dopant has a concentration of about 500 to about 20,000 atomic parts per billion, and the second dopant has a concentration of about 200 to about 20,000 atomic parts per billion.

Semiconductive materials and associated uses thereof

DOEpatents

Lynn, Kelvin; Jones, Kelly; Ciampi, Guido

2012-10-09

High rate radiation detectors are disclosed herein. The detectors include a detector material disposed inside the container, the detector material containing cadmium, tellurium, and zinc, a first dopant containing at least one of aluminum, chlorine, and indium, and a second dopant containing a rare earth metal. The first dopant has a concentration of about 500 to about 20,000 atomic parts per billion, and the second dopant has a concentration of about 200 to about 20,000 atomic parts per billion.

Low Dimensional Carbon Materials for Nanooptics and Nanoplasmonics

DTIC Science & Technology

2015-12-11

structure of the 2D glass supported by a graphene window and identified it as a bi-tetrahedral layer of SiO2 only 3 atoms thick. Our atomic resolution...developed can be directly applied to study other 2D materials such as molybdenum disulfide and 2D glasses . Novel properties in these materials open...up new avenues for studying old and new physics including glass phase transition and valley Hall effect. 15. SUBJECT TERMS graphene, bilayer graphene

Spatially controlled doping of two-dimensional SnS 2 through intercalation for electronics

DOE PAGES

Gong, Yongji; Yuan, Hongtao; Wu, Chun-Lan; ...

2018-02-26

Doped semiconductors are the most important building elements for modern electronic devices. In silicon-based integrated circuits, facile and controllable fabrication and integration of these materials can be realized without introducing a high-resistance interface. Besides, the emergence of two-dimensional (2D) materials enables the realization of atomically thin integrated circuits. However, the 2D nature of these materials precludes the use of traditional ion implantation techniques for carrier doping and further hinders device development10. Here, we demonstrate a solvent-based intercalation method to achieve p-type, n-type and degenerately doped semiconductors in the same parent material at the atomically thin limit. In contrast to naturallymore » grown n-type S-vacancy SnS 2, Cu intercalated bilayer SnS 2 obtained by this technique displays a hole field-effect mobility of ~40 cm 2 V -1 s -1, and the obtained Co-SnS 2 exhibits a metal-like behaviour with sheet resistance comparable to that of few-layer graphene. Combining this intercalation technique with lithography, an atomically seamless p–n–metal junction could be further realized with precise size and spatial control, which makes in-plane heterostructures practically applicable for integrated devices and other 2D materials. Therefore, the presented intercalation method can open a new avenue connecting the previously disparate worlds of integrated circuits and atomically thin materials.« less

Spatially controlled doping of two-dimensional SnS 2 through intercalation for electronics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong, Yongji; Yuan, Hongtao; Wu, Chun-Lan

Doped semiconductors are the most important building elements for modern electronic devices. In silicon-based integrated circuits, facile and controllable fabrication and integration of these materials can be realized without introducing a high-resistance interface. Besides, the emergence of two-dimensional (2D) materials enables the realization of atomically thin integrated circuits. However, the 2D nature of these materials precludes the use of traditional ion implantation techniques for carrier doping and further hinders device development10. Here, we demonstrate a solvent-based intercalation method to achieve p-type, n-type and degenerately doped semiconductors in the same parent material at the atomically thin limit. In contrast to naturallymore » grown n-type S-vacancy SnS 2, Cu intercalated bilayer SnS 2 obtained by this technique displays a hole field-effect mobility of ~40 cm 2 V -1 s -1, and the obtained Co-SnS 2 exhibits a metal-like behaviour with sheet resistance comparable to that of few-layer graphene. Combining this intercalation technique with lithography, an atomically seamless p–n–metal junction could be further realized with precise size and spatial control, which makes in-plane heterostructures practically applicable for integrated devices and other 2D materials. Therefore, the presented intercalation method can open a new avenue connecting the previously disparate worlds of integrated circuits and atomically thin materials.« less

Spatially controlled doping of two-dimensional SnS2 through intercalation for electronics

NASA Astrophysics Data System (ADS)

Gong, Yongji; Yuan, Hongtao; Wu, Chun-Lan; Tang, Peizhe; Yang, Shi-Ze; Yang, Ankun; Li, Guodong; Liu, Bofei; van de Groep, Jorik; Brongersma, Mark L.; Chisholm, Matthew F.; Zhang, Shou-Cheng; Zhou, Wu; Cui, Yi

2018-04-01

Doped semiconductors are the most important building elements for modern electronic devices1. In silicon-based integrated circuits, facile and controllable fabrication and integration of these materials can be realized without introducing a high-resistance interface2,3. Besides, the emergence of two-dimensional (2D) materials enables the realization of atomically thin integrated circuits4-9. However, the 2D nature of these materials precludes the use of traditional ion implantation techniques for carrier doping and further hinders device development10. Here, we demonstrate a solvent-based intercalation method to achieve p-type, n-type and degenerately doped semiconductors in the same parent material at the atomically thin limit. In contrast to naturally grown n-type S-vacancy SnS2, Cu intercalated bilayer SnS2 obtained by this technique displays a hole field-effect mobility of 40 cm2 V-1 s-1, and the obtained Co-SnS2 exhibits a metal-like behaviour with sheet resistance comparable to that of few-layer graphene5. Combining this intercalation technique with lithography, an atomically seamless p-n-metal junction could be further realized with precise size and spatial control, which makes in-plane heterostructures practically applicable for integrated devices and other 2D materials. Therefore, the presented intercalation method can open a new avenue connecting the previously disparate worlds of integrated circuits and atomically thin materials.

Initial evaluation and comparison of plasma damage to atomic layer carbon materials using conventional and low T{sub e} plasma sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jagtiani, Ashish V.; Miyazoe, Hiroyuki; Chang, Josephine

2016-01-15

The ability to achieve atomic layer precision is the utmost goal in the implementation of atomic layer etch technology. Carbon-based materials such as carbon nanotubes (CNTs) and graphene are single atomic layers of carbon with unique properties and, as such, represent the ultimate candidates to study the ability to process with atomic layer precision and assess impact of plasma damage to atomic layer materials. In this work, the authors use these materials to evaluate the atomic layer processing capabilities of electron beam generated plasmas. First, the authors evaluate damage to semiconducting CNTs when exposed to beam-generated plasmas and compare thesemore » results against the results using typical plasma used in semiconductor processing. The authors find that the beam generated plasma resulted in significantly lower current degradation in comparison to typical plasmas. Next, the authors evaluated the use of electron beam generated plasmas to process graphene-based devices by functionalizing graphene with fluorine, nitrogen, or oxygen to facilitate atomic layer deposition (ALD). The authors found that all adsorbed species resulted in successful ALD with varying impact on the transconductance of the graphene. Furthermore, the authors compare the ability of both beam generated plasma as well as a conventional low ion energy inductively coupled plasma (ICP) to remove silicon nitride (SiN) deposited on top of the graphene films. Our results indicate that, while both systems can remove SiN, an increase in the D/G ratio from 0.08 for unprocessed graphene to 0.22 to 0.26 for the beam generated plasma, while the ICP yielded values from 0.52 to 1.78. Generally, while some plasma-induced damage was seen for both plasma sources, a much wider process window as well as far less damage to CNTs and graphene was observed when using electron beam generated plasmas.« less

The Combined Influence of Molecular Weight and Temperature on the Aging and Viscoelastic Response of a Glassy Thermoplastic Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2000-01-01

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC-SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of five materials of different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have higher creep compliance and creep rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of M (bar) (sub w) 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly. The short-term creep compliance data were used in association with Struik's effective time theory to predict the long-term creep compliance behavior for the different molecular weights. At long timescales, physical aging serves to significantly decrease the creep compliance and creep rate of all the materials tested.

Effect of the space environment on materials flown on the EURECA/TICCE-HVI experiment

NASA Technical Reports Server (NTRS)

Maag, Carl R.; Stevenson, Tim J.; Tanner, William G.; Borg, Janet

1995-01-01

The primary benefit of accurately quantifying and characterizing the space environmental effects on materials is longer instrument and spacecraft life. Knowledge of the limits of materials allows the designer to optimize the spacecraft design so that the required life is achieved. Materials such as radiator coatings that have excellent durability result in the design of smaller radiators than a radiator coated with a lower durability coating. This may reduce the weight of the spacecraft due to a more optimum design. Another benefit of characterizing materials is the quantification of outgassing properties. Spacecraft which have ultraviolet or visible sensor payloads are susceptible to contamination by outgassed volatile materials. Materials with known outgassing characteristics can be restricted in these spacecraft. Finally, good data on material characteristics improves the ability of analytical models to predict material performance. A flight experiment was conducted on the European Space Agency's European Retrievable Carrier (EuReCa) as part of the Timeband Capture Cell Experiment (TICCE). Our main objective was to gather additional data on the dust and debris environments, with the focus on understanding growth as a function of size (mass) for hypervelocity particles 1E-06 cm and larger. In addition to enumerating particle impacts, hypervelocity particles were to be captured and returned intact. Measurements were performed post-flight to determine the flux density, diameters, and subsequent effects on various optical, thermal control and structural materials. In addition to these principal measurements, the experiment also provided a structure and sample holders for the exposure of passive material samples to the space environment, e.g., the effects of thermal cycling, atomic oxygen, etc. Preliminary results are presented, including the techniques used for intact capture of particles.

Effect of the space environment on materials flown on the EURECA/TICCE-HVI experiment

NASA Astrophysics Data System (ADS)

Maag, Carl R.; Stevenson, Tim J.; Tanner, William G.; Borg, Janet

1995-02-01

The primary benefit of accurately quantifying and characterizing the space environmental effects on materials is longer instrument and spacecraft life. Knowledge of the limits of materials allows the designer to optimize the spacecraft design so that the required life is achieved. Materials such as radiator coatings that have excellent durability result in the design of smaller radiators than a radiator coated with a lower durability coating. This may reduce the weight of the spacecraft due to a more optimum design. Another benefit of characterizing materials is the quantification of outgassing properties. Spacecraft which have ultraviolet or visible sensor payloads are susceptible to contamination by outgassed volatile materials. Materials with known outgassing characteristics can be restricted in these spacecraft. Finally, good data on material characteristics improves the ability of analytical models to predict material performance. A flight experiment was conducted on the European Space Agency's European Retrievable Carrier (EuReCa) as part of the Timeband Capture Cell Experiment (TICCE). Our main objective was to gather additional data on the dust and debris environments, with the focus on understanding growth as a function of size (mass) for hypervelocity particles 1E-06 cm and larger. In addition to enumerating particle impacts, hypervelocity particles were to be captured and returned intact. Measurements were performed post-flight to determine the flux density, diameters, and subsequent effects on various optical, thermal control and structural materials. In addition to these principal measurements, the experiment also provided a structure and sample holders for the exposure of passive material samples to the space environment, e.g., the effects of thermal cycling, atomic oxygen, etc. Preliminary results are presented, including the techniques used for intact capture of particles.

Novel fluorohydrocarbons

NASA Technical Reports Server (NTRS)

Scherer, Kirby V. (Inventor)

1979-01-01

Novel fluorohydrocarbons include a fluoroalkyl unit terminating in a tertiary carbon atom which is directly linked to an aliphatic moiety of the compound. The compounds contain at least 9 carbon atoms and usually no more than 13 carbon atoms. The compounds are synthesized by addition of a fluoride atom to the tertiary carbon atom of a fluorocarbon material to form a carbanion followed by alkylation of the carbanion. The fluorohydrocarbons will find use as blood substitutes or as electronic fluids.

A comparative study of gamma-ray interaction and absorption in some building materials using Zeff-toolkit

NASA Astrophysics Data System (ADS)

Mann, Kulwinder Singh; Heer, Manmohan Singh; Rani, Asha

2016-07-01

The gamma-ray shielding behaviour of a material can be investigated by determining its various interaction and energy-absorption parameters (such as mass attenuation coefficients, mass energy absorption coefficients, and corresponding effective atomic numbers and electron densities). Literature review indicates that the effective atomic number (Zeff) has been used as extensive parameters for evaluating the effects and defect in the chosen materials caused by ionising radiations (X-rays and gamma-rays). A computer program (Zeff-toolkit) has been designed for obtaining the mean value of effective atomic number calculated by three different methods. A good agreement between the results obtained with Zeff-toolkit, Auto_Zeff software and experimentally measured values of Zeff has been observed. Although the Zeff-toolkit is capable of computing effective atomic numbers for both photon interaction (Zeff,PI) and energy absorption (Zeff,En) using three methods in each. No similar computer program is available in the literature which simultaneously computes these parameters simultaneously. The computed parameters have been compared and correlated in the wide energy range (0.001-20 MeV) for 10 commonly used building materials. The prominent variations in these parameters with gamma-ray photon energy have been observed due to the dominance of various absorption and scattering phenomena. The mean values of two effective atomic numbers (Zeff,PI and Zeff,En) are equivalent at energies below 0.002 MeV and above 0.3 MeV, indicating the dominance of gamma-ray absorption (photoelectric and pair production) over scattering (Compton) at these energies. Conversely in the energy range 0.002-0.3 MeV, the Compton scattering of gamma-rays dominates the absorption. From the 10 chosen samples of building materials, 2 soils showed better shielding behaviour than did other 8 materials.

THE EFFECT OF MERCURY CONTROLS ON WALLBOARD MANUFACTURE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sandra Meischen

2004-07-01

Pending EPA regulations may mandate 70 to 90% mercury removal efficiency from utility flue gas. A mercury control option is the trapping of oxidized mercury in wet flue gas desulfurization systems (FGD). The potential doubling of mercury in the FGD material and its effect on mercury volatility at temperatures common to wallboard manufacture is a concern that could limit the growing byproduct use of FGD material. Prediction of mercury fate is limited by lack of information on the mercury form in the FGD material. The parts per billion mercury concentrations prevent the identification of mercury compounds by common analytical methods.more » A sensitive analytical method, cold vapor atomic fluorescence, coupled with leaching and thermodecomposition methods were evaluated for their potential to identify mercury compounds in FGD material. The results of the study suggest that the mercury form is dominated by the calcium sulfate matrix and is probably associated with the sulfate form in the FGD material. Additionally, to determine the effect of high mercury concentration FGD material on wallboard manufacture, a laboratory FGD unit was built to trap the oxidized mercury generated in a simulated flue gas. Although the laboratory prepared FGD material did not contain the mercury concentrations anticipated, further thermal tests determined that mercury begins to evolve from FGD material at 380 to 390 F, consequently dropping the drying temperature should mitigate mercury evolution if necessary. Mercury evolution is also diminished as the weight of the wallboard sample increased. Consequently, mercury evolution may not be a significant problem in wallboard manufacture.« less

Isolated Pt Atoms Stabilized by Amorphous Tungstenic Acid for Metal-Support Synergistic Oxygen Activation.

PubMed

Zhang, Qian; Qin, Xixi; Duanmu, Fanpeng; Ji, Huiming; Shen, Zhurui; Han, Xiaopeng; Hu, Wenbin

2018-06-05

Oxygen activation plays a crucial role in many important chemical reactions such as organics oxidation and oxygen reduction. For developing highly active materials for oxygen activation, herein, we report an atomically dispersed Pt on WO3 nanoplates stabilized by in-situ formed amorphous H2WO4 out-layer and the mechanism for activating molecular oxygen. Experimental and theoretical studies demonstrate that the isolated Pt atoms coordinated with oxygen atoms from [WO6] and water of H2WO4, consequently leading to optimized surface electronic configuration and strong metal support interaction (SMSI). In exemplified reactions of butanone oxidation sensing and oxygen reduction, the atomic Pt/WO3 hybrid exhibits superior activity than those of Pt nanoclusters/WO3 and bare WO3 as well as enhanced long-term durability. This work will provide insight on the origin of activity and stability for atomically dispersed materials, thus promoting the development of highly efficient and durable single atom-based catalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations

DOE PAGES

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F.; ...

2016-03-04

Chemical imaging at the atomic-scale provides a useful real-space approach to chemically investigate solid crystal structures, and has been recently demonstrated in aberration corrected scanning transmission electron microscopy (STEM). Atomic-scale chemical imaging by STEM using energy-dispersive X-ray spectroscopy (EDS) offers easy data interpretation with a one-to-one correspondence between image and structure but has a severe shortcoming due to the poor efficiency of X-ray generation and collection. As a result, it requires a long acquisition time of typical > few 100 seconds, limiting its potential applications. Here we describe the development of an atomic-scale STEM EDS chemical imaging technique that cutsmore » the acquisition time to one or a few seconds, efficiently reducing the acquisition time by more than 100 times. This method was demonstrated using LaAlO 3 (LAO) as a model crystal. Applying this method to the study of phase transformation induced by electron-beam radiation in a layered lithium transition-metal (TM) oxide, i.e., Li[Li 0.2Ni 0.2Mn 0.6]O 2 (LNMO), a cathode materials for lithium-ion batteries, we obtained a time-series of the atomic-scale chemical imaging, showing the transformation progressing by preferably jumping of Ni atoms from the TM layers into the Li-layers. The new capability offers an opportunity for temporal, atomic-scale chemical mapping of crystal structures for the investigation of materials susceptible to electron irradiation as well as phase transformation and dynamics at the atomic-scale.« less

Towards atomically precise manipulation of 2D nanostructures in the electron microscope

NASA Astrophysics Data System (ADS)

Susi, Toma; Kepaptsoglou, Demie; Lin, Yung-Chang; Ramasse, Quentin M.; Meyer, Jannik C.; Suenaga, Kazu; Kotakoski, Jani

2017-12-01

Despite decades of research, the ultimate goal of nanotechnology—top-down manipulation of individual atoms—has been directly achieved with only one technique: scanning probe microscopy. In this review, we demonstrate that scanning transmission electron microscopy (STEM) is emerging as an alternative method for the direct assembly of nanostructures, with possible applications in plasmonics, quantum technologies, and materials science. Atomically precise manipulation with STEM relies on recent advances in instrumentation that have enabled non-destructive atomic-resolution imaging at lower electron energies. While momentum transfer from highly energetic electrons often leads to atom ejection, interesting dynamics can be induced when the transferable kinetic energies are comparable to bond strengths in the material. Operating in this regime, very recent experiments have revealed the potential for single-atom manipulation using the Ångström-sized electron beam. To truly enable control, however, it is vital to understand the relevant atomic-scale phenomena through accurate dynamical simulations. Although excellent agreement between experiment and theory for the specific case of atomic displacements from graphene has been recently achieved using density functional theory molecular dynamics, in many other cases quantitative accuracy remains a challenge. We provide a comprehensive reanalysis of available experimental data on beam-driven dynamics in light of the state-of-the-art in simulations, and identify important targets for improvement. Overall, the modern electron microscope has great potential to become an atom-scale fabrication platform, especially for covalently bonded 2D nanostructures. We review the developments that have made this possible, argue that graphene is an ideal starting material, and assess the main challenges moving forward.

Atomic oxygen interaction with spacecraft materials: Relationship between orbital and ground-based testing for materials certification

NASA Technical Reports Server (NTRS)

Cross, Jon B.; Koontz, Steven L.; Lan, Esther H.

1993-01-01

The effects of atomic oxygen on boron nitride (BN), silicon nitride (Si3N4), Intelsat 6 solar cell interconnects, organic polymers, and MoS2 and WS2 dry lubricant, were studied in Low Earth Orbit (LEO) flight experiments and in a ground based simulation facility. Both the inflight and ground based experiments employed in situ electrical resistance measurements to detect penetration of atomic oxygen through materials and Electron Spectroscopy for Chemical Analysis (ESCA) analysis to measure chemical composition changes. Results are given. The ground based results on the materials studied to date show good qualitative correlation with the LEO flight results, thus validating the simulation fidelity of the ground based facility in terms of reproducing LEO flight results. In addition it was demonstrated that ground based simulation is capable of performing more detailed experiments than orbital exposures can presently perform. This allows the development of a fundamental understanding of the mechanisms involved in the LEO environment degradation of materials.

MoS2 monolayers on nanocavities: enhancement in light-matter interaction

NASA Astrophysics Data System (ADS)

Janisch, Corey; Song, Haomin; Zhou, Chanjing; Lin, Zhong; Elías, Ana Laura; Ji, Dengxin; Terrones, Mauricio; Gan, Qiaoqiang; Liu, Zhiwen

2016-06-01

Two-dimensional (2D) atomic crystals and van der Waals heterostructures constitute an emerging platform for developing new functional ultra-thin electronic and optoelectronic materials for novel energy-efficient devices. However, in most thin-film optical applications, there is a long-existing trade-off between the effectiveness of light-matter interactions and the thickness of semiconductor materials, especially when the materials are scaled down to atom thick dimensions. Consequently, enhancement strategies can introduce significant advances to these atomically thick materials and devices. Here we demonstrate enhanced absorption and photoluminescence generation from MoS2 monolayers coupled with a planar nanocavity. This nanocavity consists of an alumina nanolayer spacer sandwiched between monolayer MoS2 and an aluminum reflector, and can strongly enhance the light-matter interaction within the MoS2, increasing the exclusive absorption of monolayer MoS2 to nearly 70% at a wavelength of 450 nm. The nanocavity also modifies the spontaneous emission rate, providing an additional design freedom to control the interaction between light and 2D materials.

Atomic oxygen erosion considerations for spacecraft materials selection

NASA Technical Reports Server (NTRS)

Whitaker, Ann F.; Kamenetzky, Rachel R.

1993-01-01

The Long Duration Exposure Facility (LDEF) satellite carried 57 experiments that were designed to define the low-Earth orbit (LEO) space environment and to evaluate the impact of this environment on potential engineering materials and material processes. Deployed by the Shuttle Challenger in April of 1984, LDEF made over 32,000 orbits before being retrieved nearly 6 years later by the Shuttle Columbia in January of 1990. The Solar Array Passive LDEF Experiment (SAMPLE) AO171 contained approximately 300 specimens, representing numerous material classes and material processes. AO171 was located on LDEF in position A8 at a yaw of 38.1 degrees from the ram direction and was subjected to an atomic oxygen (AO) fluence of 6.93 x 10(exp 21) atoms/sq cm. LDEF AO171 data, as well as short-term shuttle data, will be discussed in this paper as it applies to engineering design applications of composites, bulk and thin film polymers, glassy ceramics, thermal control paints, and metals subjected to AO erosion.

BCA-kMC Hybrid Simulation for Hydrogen and Helium Implantation in Material under Plasma Irradiation

NASA Astrophysics Data System (ADS)

Kato, Shuichi; Ito, Atsushi; Sasao, Mamiko; Nakamura, Hiroaki; Wada, Motoi

2015-09-01

Ion implantation by plasma irradiation into materials achieves the very high concentration of impurity. The high concentration of impurity causes the deformation and the destruction of the material. This is the peculiar phenomena in the plasma-material interaction (PMI). The injection process of plasma particles are generally simulated by using the binary collision approximation (BCA) and the molecular dynamics (MD), while the diffusion of implanted atoms have been traditionally solved by the diffusion equation, in which the implanted atoms is replaced by the continuous concentration field. However, the diffusion equation has insufficient accuracy in the case of low concentration, and in the case of local high concentration such as the hydrogen blistering and the helium bubble. The above problem is overcome by kinetic Monte Carlo (kMC) which represents the diffusion of the implanted atoms as jumps on interstitial sites in a material. In this paper, we propose the new approach ``BCA-kMC hybrid simulation'' for the hydrogen and helium implantation under the plasma irradiation.

Effective radiation reduction in Space Station and missions beyond the magnetosphere

NASA Technical Reports Server (NTRS)

Jordan, Thomas M.; Stassinopoulos, E. G.

1989-01-01

This paper investigates the efficiency of low- and high-atomic number materials used as protective shields against biologically effective radiation in doses equivalent to those expected in low-earth-orbit and interplanetary manned missions. Results are presented on calculations for single-material shields from polyethylene, water, Be, Al, Fe, and Ta and multilayer shelds made from the combinations of any two or any three of these materials, for both LEO and interplanetary conditions. It is shown that, whereas for protons and Galactic cosmic rays the ordering of shield materials has a negligible effect, for electrons and secondary bremsstrahlung, both the order and the composition are important parameters. It was found that low-atomic-number materials are most effective shields against protons and galactic cosmic rays, and are most effective in decreasing bremsstrahlung production, while high-atomic-number shields are the best attenuators of both primary electrons (if the dose is dominated by primary electrons) and secondary bremsstrahlung (if this is produced).

Environmental Durability Issues for Solar Power Systems in Low Earth Orbit

NASA Technical Reports Server (NTRS)

Degroh, Kim K.; Banks, Bruce A.; Smith, Daniela C.

1994-01-01

Space solar power systems for use in the low Earth orbit (LEO) environment experience a variety of harsh environmental conditions. Materials used for solar power generation in LEO need to be durable to environmental threats such as atomic oxygen, ultraviolet (UV) radiation, thermal cycling, and micrometeoroid and debris impact. Another threat to LEO solar power performance is due to contamination from other spacecraft components. This paper gives an overview of these LEO environmental issues as they relate to space solar power system materials. Issues addressed include atomic oxygen erosion of organic materials, atomic oxygen undercutting of protective coatings, UV darkening of ceramics, UV embrittlement of Teflon, effects of thermal cycling on organic composites, and contamination due to silicone and organic materials. Specific examples of samples from the Long Duration Exposure Facility (LDEF) and materials returned from the first servicing mission of the Hubble Space Telescope (HST) are presented. Issues concerning ground laboratory facilities which simulate the LEO environment are discussed along with ground-to-space correlation issues.

The NASA/JPL Evaluation of Oxygen Interactions with Materials-3 (EOIM-3)

NASA Technical Reports Server (NTRS)

Brinza, David E.; Chung, Shirley Y.; Minton, Timothy K.; Liang, Ranty H.

1994-01-01

The deleterious effects of hyperthermal atomic oxygen (AO) found in low-earth-orbit (LEO) environments on critical flight materials has been known since early shuttle flights. This corrosive effect is of considerable concern because it compromises the performance and longevity of spacecraft/satellite materials deployed for extended periods in LEO. The NASA Evaluation of Oxygen Interactions with Materials-3 (EOIM-3) experiment served as a testbed for a variety of candidate flight materials for space assets. A total of 57 JPL test specimens were present in six subexperiments aboard EOIM-3. In addition to a number of passive exposure materials for flight and advanced technology programs, several subexperiments were included to provide data for understanding the details of atomic oxygen interactions with materials. Data and interpretations are presented for the heated tray, heated strips, solar ultraviolet exposure, and scatterometer subexperiments, along with a detailed description of the exposure conditions experienced by materials in the various experiments. Mass spectra of products emerging from identical samples of a (sup 13)C-enriched polyimide polymer (chemically equivalent to Kapton) under atomic oxygen bombardment in space and in the laboratory were collected. Reaction products unambiguously detected in space were (sup 13)CO, NO, (sup 12)CO2, and (sup 13)CO2. These reaction products and two others, H2O and (sup 12)CO, were detected in the laboratory, along with inelastically scattered atomic and molecular oxygen. Qualitative agreement was seen in the mass spectra taken in space and in the laboratory; the agreement may be improved by reducing the fraction of O2 in the laboratory molecular beam.

If Only We Could Account For Every Atom (LBNL Summer Lecture Series)

ScienceCinema

Kisielowski, Christian [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division

2018-02-16

Christian Kisielowski, an expert in electron microscopy at Lawrence Berkeley National Laboratory, investigates ways to allow studies of single atoms using sophisticated microscopes and imaginative techniques. His goal is to account for every atom in the interior of both simple and complex materials. Find out how he and his colleagues are breaking the barriers to account for every atom.

Durability Issues for the Protection of Materials from Atomic Oxygen Attack in Low Earth Orbit

NASA Technical Reports Server (NTRS)

Banks, Bruce; Lenczewski, Mary; Demko, Rikako

2002-01-01

Low Earth orbital atomic oxygen is capable of eroding most polymeric materials typically used on spacecraft. Solar array blankets, thermal control polymers, and carbon fiber matrix composites are readily oxidized to become thinner and less capable of supporting the loads imposed upon them. Protective coatings have been developed that are durable to atomic oxygen to prevent oxidative erosion of the underlying polymers. However, the details of the surface roughness, coating defect density, and coating configuration can play a significant role as to whether or not the coating provides long duration atomic oxygen protection. Identical coatings on different surface roughness surfaces can have drastically different durability results. Examples and analysis of the causes of resultant differences in atomic oxygen protection are presented. Implications based on in-space experiences, ground laboratory testing, and computational modeling indicate that thin film vacuum-deposited aluminum protective coatings offer much less atomic oxygen protection than sputter-deposited silicon dioxide coatings.

Atomic oxygen durability of solar concentrator materials for Space Station Freedom

NASA Technical Reports Server (NTRS)

Degroh, Kim K.; Terlep, Judith A.; Dever, Therese M.

1990-01-01

The findings are reviewed of atomic oxygen exposure testing of candidate solar concentrator materials containing SiO2 and Al2O3 protective coatings for use on Space Station Freedom solar dynamic power modules. Both continuous and iterative atomic oxygen exposure tests were conducted. Iterative air plasma ashing resulted in larger specular reflectance decreases and solar absorptance increases than continuous ashing to the same fluence, and appears to provide a more severe environment than the continuous atomic oxygen exposure that would occur in the low Earth orbit environment. First generation concentrator fabrication techniques produced surface defects including scratches, macroscopic bumps, dendritic regions, porosity, haziness, and pin hole defects. Several of these defects appear to be preferential sites for atomic oxygen attack leading to erosive undercutting. Extensive undercutting and flaking of reflective and protective coatings were found to be promoted through an undercutting tearing propagation process. Atomic oxygen erosion processes and effects on optical performance is presented.

Atom-Level Understanding of the Sodiation Process in Silicon Anode Material.

PubMed

Jung, Sung Chul; Jung, Dae Soo; Choi, Jang Wook; Han, Young-Kyu

2014-04-03

Despite the exceptionally large capacities in Li ion batteries, Si has been considered inappropriate for applications in Na ion batteries. We report an atomic-level study on the applicability of a Si anode in Na ion batteries using ab initio molecular dynamics simulations. While crystalline Si is not suitable for alloying with Na atoms, amorphous Si can accommodate 0.76 Na atoms per Si atom, corresponding to a specific capacity of 725 mA h g(-1). Bader charge analyses reveal that the sodiation of an amorphous Si electrode continues until before the local Na-rich clusters containing neutral Na atoms are formed. The amorphous Na0.76Si phase undergoes a volume expansion of 114% and shows a Na diffusivity of 7 × 10(-10) cm(2) s(-1) at room temperature. Overall, the amorphous Si phase turns out quite attractive in performance compared to other alloy-type anode materials. This work suggests that amorphous Si might be a competitive candidate for Na ion battery anodes.

Analysis of spatial correlations in a model two-dimensional liquid through eigenvalues and eigenvectors of atomic-level stress matrices.

PubMed

Levashov, V A; Stepanov, M G

2016-01-01

Considerations of local atomic-level stresses associated with each atom represent a particular approach to address structures of disordered materials at the atomic level. We studied structural correlations in a two-dimensional model liquid using molecular dynamics simulations in the following way. We diagonalized the atomic-level stress tensor of every atom and investigated correlations between the eigenvalues and orientations of the eigenvectors of different atoms as a function of distance between them. It is demonstrated that the suggested approach can be used to characterize structural correlations in disordered materials. In particular, we found that changes in the stress correlation functions on decrease of temperature are the most pronounced for the pairs of atoms with separation distance that corresponds to the first minimum in the pair density function. We also show that the angular dependencies of the stress correlation functions previously reported by Wu et al. [Phys. Rev. E 91, 032301 (2015)10.1103/PhysRevE.91.032301] do not represent the anisotropic Eshelby's stress fields, as it is suggested, but originate in the rotational properties of the stress tensors.

Synthesis and Structural Characterization of New Light Molecular Weight Inorganic Oxidizers and Related Derivatives. Volume: 2

DTIC Science & Technology

1993-02-01

of the strong inductive effect of the five fluorine ligands attached to the tellurium atom. 34 It is prepared under anhydrous conditions according to...MOLECULAR WEIGHT INORGANIC OXIDIZERS AND RELATED DERIVATIVES. VOLUME: II Professor G. J. Schrobilgen McMaster University Department of Chemistry...C: F04611-91-K-0004 Molecular Weight Inorganic Oxidizers and Relative PE: 62302F SDerivatives: Volume II 1PR: 5730 6. AUTHOFR(S) TA: 0*( C

Fundamentals of tribology at the atomic level

NASA Technical Reports Server (NTRS)

Ferrante, John; Pepper, Stephen V.

1989-01-01

Tribology, the science and engineering of solid surfaces in moving contact, is a field that encompasses many disciplines: solid state physics, chemistry, materials science, and mechanical engineering. In spite of the practical importance and maturity of the field, the fundamental understanding of basic phenomena has only recently been attacked. An attempt to define some of these problems and indicate some profitable directions for future research is presented. There are three broad classifications: (1) fluid properties (compression, rheology, additives and particulates); (2) material properties of the solids (deformation, defect formation and energy loss mechanisms); and (3) interfacial properties (adhesion, friction chemical reactions, and boundary films). Research in the categories has traditionally been approached by considering macroscopic material properties. Recent activity has shown that some issues can be approached at the atomic level: the atoms in the materials can be manipulated both experimentally and theoretically, and can produce results related to macroscopic phenomena.

Trace elements and metals in farmed sea bass and gilthead bream from Tenerife Island, Spain.

PubMed

Rubio, C; Jalilli, A; Gutiérrez, A J; González-Weller, D; Hernández, F; Melón, E; Burgos, A; Revert, C; Hardisson, A

2011-11-01

The aim of this study was to determine the levels of metals (Ca, K, Na, Mg) and trace metals (Ni, Fe, Cu, Mn, Zn, Pb, Cd) in two fish species (gilthead bream [Sparus aurata] and sea bass [Dicentrarchus labrax]) collected from fish farms located along the coast of Tenerife Island. Ca, K, Na, Mg, Fe, Cu, Zn, and Mn were measured by flame atomic absorption spectrometry, whereas Pb, Cd, and Ni were determined using graphite furnace atomic absorption spectrometry. Mean Fe, Cu, Mn, and Zn contents were 3.09, 0.59, 0.18, and 8.11 mg/kg (wet weight) in S. aurata and 3.20, 0.76, 0.24, and 10.11 mg/kg (wet weight) in D. labrax, respectively. In D. labrax, Ca, K, Na, and Mg levels were 1,955, 2,787, 699.7, and 279.2 mg/kg (wet weight), respectively; in S. aurata, they were 934.7, 3,515, 532.8, and 262.8 mg/kg (wet weight), respectively. The Pb level in S. aurata was 7.28 ± 3.64 μg/kg (wet weight) and, in D. labrax, 4.42 ± 1.56 μg/kg (wet weight). Mean Cd concentrations were 3.33 ± 3.93 and 1.36 ± 1.53 μg/kg (wet weight) for D. labrax and S. aurata, respectively. All Pb and Cd levels measured were well below the accepted European Commission limits, 300 and 50 μg/kg for lead and cadmium, respectively.

Electrostatic interaction energy and factor 1.23

NASA Astrophysics Data System (ADS)

Rubčić, A.; Arp, H.; Rubčić, J.

The factor F≫1.23 has originally been found in the redshift of quasars. Recently, it has been found in very different physical phenomena: the life-time of muonium, the masses of elementary particles (leptons, quarks,...), the correlation of atomic weight (A) and atomic number (Z) and the correlation of the sum of masses of all orbiting bodies with the mass of the central body in gravitational systems.

PDBToSDF: Create ligand structure files from PDB file.

PubMed

Muppalaneni, Naresh Babu; Rao, Allam Appa

2011-01-01

Protein Data Bank (PDB) file contains atomic data for protein and ligand in protein-ligand complexes. Structure data file (SDF) contains data for atoms, bonds, connectivity and coordinates of molecule for ligands. We describe PDBToSDF as a tool to separate the ligand data from pdb file for the calculation of ligand properties like molecular weight, number of hydrogen bond acceptors, hydrogen bond receptors easily.

PREPARATION OF BLOCK COPOLYMERS OF POLY(STYRENE) AND POLY(T-BUTYL ACRYLATE) OF VARIOUS MOLECULAR WEIGHTS AND ARCHITECTURES BY ATOM TRANSFER RADICAL POLYMERIZATION. (R826735)

EPA Science Inventory

Block copolymers of polystyrene and poly(t-butyl acrylate) were prepared using atom transfer radical polymerization techniques. These polymers were synthesized with a CuBr/N,N,N,NPreparation And Analysis Of Specimens Of Ablative Materials

NASA Technical Reports Server (NTRS)

Solomon, William C.

1994-01-01

Procedure for chemical analysis of specimens of silicone-based ablative thermal-insulation materials SLA-561 and MA25 involves acid digestion of specimens to prepare them for analysis by inductively-coupled-plasma/atomic-emission spectroscopy (ICP/AES). In comparison with atomic-absorption spectroscopy (AAS), ICP/AES is faster and more accurate than AAS. Results of analyses stored in data base, used to trace variations in concentrations of chemical elements in materials during long-term storage, and used in timely manner in investigations of failures. Acid-digestion portion of procedure applied to other thermal-insulation materials containing room-temperature-vulcanizing silicones and enables instrumental analysis of these materials.

Advanced Materials by Atom Transfer Radical Polymerization.

PubMed

Matyjaszewski, Krzysztof

2018-06-01

Atom transfer radical polymerization (ATRP) has been successfully employed for the preparation of various advanced materials with controlled architecture. New catalysts with strongly enhanced activity permit more environmentally benign ATRP procedures using ppm levels of catalyst. Precise control over polymer composition, topology, and incorporation of site specific functionality enables synthesis of well-defined gradient, block, comb copolymers, polymers with (hyper)branched structures including stars, densely grafted molecular brushes or networks, as well as inorganic-organic hybrid materials and bioconjugates. Examples of specific applications of functional materials include thermoplastic elastomers, nanostructured carbons, surfactants, dispersants, functionalized surfaces, and biorelated materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Recent Development of Advanced Electrode Materials by Atomic Layer Deposition for Electrochemical Energy Storage.

PubMed

Guan, Cao; Wang, John

2016-10-01

Electrode materials play a decisive role in almost all electrochemical energy storage devices, determining their overall performance. Proper selection, design and fabrication of electrode materials have thus been regarded as one of the most critical steps in achieving high electrochemical energy storage performance. As an advanced nanotechnology for thin films and surfaces with conformal interfacial features and well controllable deposition thickness, atomic layer deposition (ALD) has been successfully developed for deposition and surface modification of electrode materials, where there are considerable issues of interfacial and surface chemistry at atomic and nanometer scale. In addition, ALD has shown great potential in construction of novel nanostructured active materials that otherwise can be hardly obtained by other processing techniques, such as those solution-based processing and chemical vapor deposition (CVD) techniques. This review focuses on the recent development of ALD for the design and delivery of advanced electrode materials in electrochemical energy storage devices, where typical examples will be highlighted and analyzed, and the merits and challenges of ALD for applications in energy storage will also be discussed.

ATOMIC LAYER DEPOSITION OF TITANIUM OXIDE THIN FILMS ONNANOPOROUS ALUMINA TEMPLATES FOR MEDICAL APPLICATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brigmon, R.

2009-05-05

Nanostructured materials may play a significant role in controlled release of pharmacologic agents for treatment of cancer. Many nanoporous polymer materials are inadequate for use in drug delivery. Nanoporous alumina provides several advantages over other materials for use in controlled drug delivery and other medical applications. Atomic layer deposition was used to coat all the surfaces of the nanoporous alumina membrane in order to reduce the pore size in a controlled manner. Both the 20 nm and 100 nm titanium oxide-coated nanoporous alumina membranes did not exhibit statistically lower viability compared to the uncoated nanoporous alumina membrane control materials. Inmore » addition, 20 nm pore size titanium oxide-coated nanoporous alumina membranes exposed to ultraviolet light demonstrated activity against Escherichia coli and Staphylococcus aureus bacteria. Nanostructured materials prepared using atomic layer deposition may be useful for delivering a pharmacologic agent at a precise rate to a specific location in the body. These materials may serve as the basis for 'smart' drug delivery devices, orthopedic implants, or self-sterilizing medical devices.« less

Recent Development of Advanced Electrode Materials by Atomic Layer Deposition for Electrochemical Energy Storage

PubMed Central

2016-01-01

Electrode materials play a decisive role in almost all electrochemical energy storage devices, determining their overall performance. Proper selection, design and fabrication of electrode materials have thus been regarded as one of the most critical steps in achieving high electrochemical energy storage performance. As an advanced nanotechnology for thin films and surfaces with conformal interfacial features and well controllable deposition thickness, atomic layer deposition (ALD) has been successfully developed for deposition and surface modification of electrode materials, where there are considerable issues of interfacial and surface chemistry at atomic and nanometer scale. In addition, ALD has shown great potential in construction of novel nanostructured active materials that otherwise can be hardly obtained by other processing techniques, such as those solution‐based processing and chemical vapor deposition (CVD) techniques. This review focuses on the recent development of ALD for the design and delivery of advanced electrode materials in electrochemical energy storage devices, where typical examples will be highlighted and analyzed, and the merits and challenges of ALD for applications in energy storage will also be discussed. PMID:27840793