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Title: Classification of materials using nuclear magnetic resonance dispersion and/or x-ray absorption

Abstract

Methods for determining the identity of a substance are provided. A classification parameter set is defined to allow identification of substances that previously could not be identified or to allow identification of substances with a higher degree of confidence. The classification parameter set may include at least one of relative nuclear susceptibility (RNS) or an x-ray linear attenuation coefficient (LAC). RNS represents the density of hydrogen nuclei present in a substance relative to the density of hydrogen nuclei present in water. The extended classification parameter set may include T.sub.1, T.sub.2, and/or T.sub.1.rho. as well as at least one additional classification parameter comprising one of RNS or LAC. Values obtained for additional classification parameters as well as values obtained for T.sub.1, T.sub.2, and T.sub.1.rho. can be compared to known classification parameter values to determine whether a particular substance is a known material.

Inventors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1341886
Patent Number(s):
9,557,394
Application Number:
13/869,705
Assignee:
U.S. Department of Energy (Washington, DC) LANL
DOE Contract Number:
AC52-06NA25396
Resource Type:
Patent
Resource Relation:
Patent File Date: 2013 Apr 24
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY

Citation Formats

Espy, Michelle A., Matlashov, Andrei N., Schultz, Larry J., Volegov, Petr L., Urbaitis, Algis, Sandin, Henrik, Yoder, Jacob, and Surko, Stephen. Classification of materials using nuclear magnetic resonance dispersion and/or x-ray absorption. United States: N. p., 2017. Web.
Espy, Michelle A., Matlashov, Andrei N., Schultz, Larry J., Volegov, Petr L., Urbaitis, Algis, Sandin, Henrik, Yoder, Jacob, & Surko, Stephen. Classification of materials using nuclear magnetic resonance dispersion and/or x-ray absorption. United States.
Espy, Michelle A., Matlashov, Andrei N., Schultz, Larry J., Volegov, Petr L., Urbaitis, Algis, Sandin, Henrik, Yoder, Jacob, and Surko, Stephen. Tue . "Classification of materials using nuclear magnetic resonance dispersion and/or x-ray absorption". United States. doi:. https://www.osti.gov/servlets/purl/1341886.
@article{osti_1341886,
title = {Classification of materials using nuclear magnetic resonance dispersion and/or x-ray absorption},
author = {Espy, Michelle A. and Matlashov, Andrei N. and Schultz, Larry J. and Volegov, Petr L. and Urbaitis, Algis and Sandin, Henrik and Yoder, Jacob and Surko, Stephen},
abstractNote = {Methods for determining the identity of a substance are provided. A classification parameter set is defined to allow identification of substances that previously could not be identified or to allow identification of substances with a higher degree of confidence. The classification parameter set may include at least one of relative nuclear susceptibility (RNS) or an x-ray linear attenuation coefficient (LAC). RNS represents the density of hydrogen nuclei present in a substance relative to the density of hydrogen nuclei present in water. The extended classification parameter set may include T.sub.1, T.sub.2, and/or T.sub.1.rho. as well as at least one additional classification parameter comprising one of RNS or LAC. Values obtained for additional classification parameters as well as values obtained for T.sub.1, T.sub.2, and T.sub.1.rho. can be compared to known classification parameter values to determine whether a particular substance is a known material.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jan 31 00:00:00 EST 2017},
month = {Tue Jan 31 00:00:00 EST 2017}
}

Patent:

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  • Technologies related to identification of a substance in an optimized manner are provided. A reference group of known materials is identified. Each known material has known values for several classification parameters. The classification parameters comprise at least one of T.sub.1, T.sub.2, T.sub.1.rho., a relative nuclear susceptibility (RNS) of the substance, and an x-ray linear attenuation coefficient (LAC) of the substance. A measurement sequence is optimized based on at least one of a measurement cost of each of the classification parameters and an initial probability of each of the known materials in the reference group.
  • A method for the purification of a crude x-ray contrast agent, magnetic resonance imaging agent or radiopharmaceutical is described comprising the steps of: (a) passing a crude agent into a housing cartridge containing a cross-linked membrane; and (b) applying pressure within said housing cartridge to force said crude agent into said cross-linked membrane whereby low molecular weight impurities within said crude agent are forced through pores in said cross-linked membrane and purified agent passes over said cross-linked membrane.
  • Several members of the compositional series Li[NixMnxCo(1-2x)]O2 (0.01 = x = 1/3) were synthesized and characterized. X-ray diffraction results confirm the presence of the layered a-NaFeO2-type structure, while X-ray absorption near-edge spectroscopy experiments verify the presence of Ni2+, Mn4+, and Co3+. Their local environment and short-range ordering were investigated by using a combination of 6Li magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy and neutron pair distribution function (PDF) analysis, associated with reverse Monte Carlo (RMC) calculations. The 6Li MAS NMR spectra of compounds with low Ni/Mn contents (x = 0.10) show several well-resolved resonances, which start to mergemore » when the amount of Ni and Mn increases, finally forming a broad resonance at high Ni/Mn contents. Analysis of the 6Li MAS NMR 6Li[Ni0.02Mn0.02Co0.96]O2 spectrum, is consistent with the formation of Ni2+ and Mn4+ clusters within the transition-metal layers, even at these low-doping levels. The oxidation state of Ni in this high Co content sample strongly depends upon the Li/transition metal ratio of the starting materials. Neutron PDF analysis of the highest Ni/Mn content sample Li[Ni1/3Mn1/3Co1/3]O2 shows a tendency for Ni cations to be close to Mn cations in the first coordination shell; however, the Co3+ ions are randomly distributed. Analysis of the intensity of the 'LiCoO2' resonance, arising from Li surrounded by Co3+ in its first two cation coordination shells, for the whole series provides further evidence for a nonrandom distribution of the transition-metal cations. The presence of the insulator-to-metal transition seen in the electrochemical profiles of these materials upon charging correlates strongly with the concentration of the 'LiCoO2' resonance.« less
  • An ultra-low magnetic field NMR system can non-invasively examine containers. Database matching techniques can then identify hazardous materials within the containers. Ultra-low field NMR systems are ideal for this purpose because they do not require large powerful magnets and because they can examine materials enclosed in conductive shells such as lead shells. The NMR examination technique can be combined with ultra-low field NMR imaging, where an NMR image is obtained and analyzed to identify target volumes. Spatial sensitivity encoding can also be used to identify target volumes. After the target volumes are identified the NMR measurement technique can be usedmore » to identify their contents.« less
  • Method comprising obtaining an NMR measurement from a sample wherein an ultra-low field NMR system probes the sample and produces the NMR measurement and wherein a sampling temperature, prepolarizing field, and measurement field are known; detecting the NMR measurement by means of inductive coils; analyzing the NMR measurement to obtain at least one measurement feature wherein the measurement feature comprises T1, T2, T1.rho., or the frequency dependence thereof; and, searching for the at least one measurement feature within a database comprising NMR reference data for at least one material to determine if the sample comprises a material of interest.