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.codespell/ignore_words.txt

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@@ -13,5 +13,43 @@ fro
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;; The facility not the attitude
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SLAC
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;; The chemical
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;; The chemicals
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Nd
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ThSe
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Te
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NWO
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AFE
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;; The names of collaborators
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Nam
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Skelton
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Tennant
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BASF
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Joo
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Hart
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Comin
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Stach
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Comor
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Flor
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Winn
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Studi
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;; Whet as in appetite
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whet
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;; journal abbreviations
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Commun
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Ser
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bridg
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slac
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SHS
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stach
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selt
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als
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basf
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;; citation things
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annote
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;; the state
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ND

.github/workflows/publish.yml

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name: Publish Group Webiste
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name: Publish Group Website
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on:
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push:

db/citations.yml

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@@ -920,7 +920,6 @@ berto;acsn17:
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wwwpub: http://slapper.apam.columbia.edu/bib-eu9iifae/papers/17bertoacsn.pdf
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year: '2017'
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berto;c218:
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annote: DOI:10.28954/2018.csq.02.001
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author:
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- Bertolotti, Federica
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- Proppe, Andrew H.
@@ -1092,7 +1091,7 @@ billi;ae24:
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and the funding over the years (DMR2023698, DMR1756245, DMR1539724, DMR1069120),
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as well as additional financial support from Northwestern University, the International
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Center for Theoretical Physics and US Office of Naval Research Global, and logistical
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support from MRS, AMRS and AAS. We also thank the presenters who share their time
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support from MRS, AMRS and African Academy of Science. We also thank the presenters who share their time
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and expertise so freely, and the students who engage so thoroughly and bring so
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much passion.
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author:
@@ -2679,7 +2678,7 @@ bozin;jac09:
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optwwwlanl: ''
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pages: 724-725
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title: Atomic pair distribution function analysis from the {ARCS} chopper spectrometer
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at the {S}pallation {N}eutron {S}ource
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at the {Spallation Neutron Source}
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url: http://scripts.iucr.org/cgi-bin/paper?wf5045
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volume: '42'
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wwwemail: ''
@@ -2794,7 +2793,7 @@ bozin;nc19:
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pages: '3638'
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synopsis: Local symmetry breaking at high temperature associated with a breaking
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of orbital degeneracy is established in a model system, CuIr2S4, using PDF. This
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is the paper that establishes the phenomonenon and its importance for understanding
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is the paper that establishes the phenomenon and its importance for understanding
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lower temperature ground-states.
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tags: odl, cis, nsf2pcv, highlight
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title: Local orbital degeneracy lifting as a precursor to an orbital-selective Peierls
@@ -3768,7 +3767,7 @@ chupa;iucrcpd03:
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number: '29'
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pages: 24--25
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tags: in_situ
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title: In-situ time resolved powder diffraction studies in heterogenous catalysis;
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title: In-situ time resolved powder diffraction studies in heterogeneous catalysis;
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coupling the study of long range and local structural changes
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volume: ''
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year: '2003'
@@ -5356,7 +5355,7 @@ ghidi;cc14:
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synopsis: One of the first papers describing the synthesis of MXenes, including
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an early quantitative structural characterization using PDF
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tags: mxene, highlight
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title: Synthesis and charaterization of two-dimensional {Nb$_4$C$_3$} {(MXene)}
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title: Synthesis and characterization of two-dimensional {Nb$_4$C$_3$} {(MXene)}
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url: http://pubs.rsc.org/en/content/articlelanding/2014/cc/c4cc03366c\#!divAbstract
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volume: '50'
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wwwemail: ''
@@ -5571,7 +5570,7 @@ griff;nm24:
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how atoms move with respect to each other as a following a exciting stimulus. A
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major challenge is to carry out these experiments in using the X-ray free electron
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lasers (XFELs) that can provide this time resolution in prinicple. This experiment
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demonstrates that this is possile, opening the door to future such experiments
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demonstrates that this is possible, opening the door to future such experiments
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on a wide range of materials. In this case, the destruction of an ordered charge
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density wave state at the metal-insulator transition of the quantum material,
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CuIr2S2, was studied.
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At Northwestern University, work on thermoelectric materials is primarily supported
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by the U.S Department of Energy, Office of Science and Office of Basic Energy
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Sciences under award number DE-SC0014520. Ce travail a \'{e}t\'{e} soutenu par
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le programme ”Investissements d’Avenir”, projet ISITE-BFC (contrat ANR-15-IDEX-0003).
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le programme ”Investissements d’Avenir”, project ISITE-BFC (contrat ANR-15-IDEX-0003).
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author:
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- Simon A. J. Kimber
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- Jiayong Zhang
@@ -7149,7 +7148,7 @@ kimbe;nm23:
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the shutter is open blur out and gradually disappear from the image. By varying
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the shutter speed you can see them disappear and reappear. This allows you to
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know which parts of an image are stationary and which are moving. It also gives
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information about their speed by which is realted to the shutter speed where they
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information about their speed by which is related to the shutter speed where they
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appear/disappear. The new technique uses neutrons as a probe of the material
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and we called it variable-shutter PDF (vsPDF). The new information allowed a theory
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to be developed by the team that gives novel insight into the atomic bonding in
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contrast of just 0.48. Metal-metal correlations are important in this mechanism
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as indicated by PDF analysis.
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synopsis: Low temperature glass forming MOF structures are reported with good optical
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properties suitable for infomration storage applications
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properties suitable for information storage applications
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tags: mof, liquid, molecular, glass, amorphous
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title: Designing Glass and Crystalline Phases of Metal–Bis(acetamide) Networks to
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Promote High Optical Contrast
@@ -8570,7 +8569,7 @@ lo;nc19:
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grant: tamu17
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journal: Nature Chemistry
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month: dec
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nb: art, hilight
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nb: art, highlight
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optannote: Require change to the acknowledgement. No MRSEC.
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optnote: ''
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optwwwlanl: ''
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can be amorphized in different ways. In this study, the structure, physical and
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chemical properties of sugar amorphized in different ways was studied. Our total
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scattering PDF was able to show that local molecular-level ordering differences
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existed between Melt quenched, feeze dried, spray dried and spin melt-quenched
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existed between Melt quenched, freeze dried, spray dried and spin melt-quenched
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sugare existed. Together with other characterizations of the degree of crystallinity
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and water contents, a picture emerged where at a fundamental level, the nature
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of the reuslting amorphous state depended sensitively on the amorphization method.
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of the resulting amorphous state depended sensitively on the amorphization method.
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tags: sugar, organics, food, amorphous
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title: Effect of amorphization method on the physicochemical properties of amorphous
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sucrose
@@ -10266,7 +10265,7 @@ proff;jac01:
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grant: ' nsf-dmr00 '
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journal: J. Appl. Crystallogr.
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nb: ' art, pdf '
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optnote: sumbitted
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optnote: submitted
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optwwwprep: http://www.pa.msu.edu/cmp/billinge-group/papers/proffe_jac01.pdf
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pages: '767'
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title: Teaching diffraction using computer simulations over the internet
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rakit;am23:
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ackno: J.L.H and P.P.D contributed equally. Y.R. thank Songsheng Tau for his assistance
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in developing the MiniPipes code. We also ac- knowledge Michael L. Falk and Darius
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D. Alix-Williams for provid- ing atomic structures to support diffraction simulations.
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Develop- ment of data analysis pipelines and protocols in the Billinge group was
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D. Alix-Williams for providing atomic structures to support diffraction simulations.
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Development of data analysis pipelines and protocols in the Billinge group was
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funded by the Next Generation Synthesis Center (GENESIS), an Energy Frontier Research
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Center funded by the U.S. Department of Energy , Office of Science, Basic Energy
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Sciences under Award Num- ber DE-SC0019212 . Electron microscopy in the Taheri
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professional_summary: Electron micrscopy is a powerful method for studying loca
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arrangements of atoms and atomic defects in materials and has had enormous scientific
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impact. However, when materials are very disordered, the description of the local
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structure becomes more statistical in nature and useful descriptions of the strucuture
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structure becomes more statistical in nature and useful descriptions of the structure
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are in the form of correlation functions that indicate probabilities of finding
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atoms in the vicinity of other atoms. This is measured using methods such as
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atomic pair distribution function (PDF) analysis. Here we combine PDF with scanning
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grant: efrc18
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journal: J. Am. Chem. Soc.
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month: nov
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nb: art, hilight
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nb: art, highlight
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number: '44'
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optannote: ''
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optnote: toc caption. Schematic of an experiment to make a target material, cuprous
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optnote: To be Published
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pages: p4130-4133
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professional_summary: A group working class pedagogy is described as well as personal
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anecdotes about different strategies for succhessful implementaion.
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anecdotes about different strategies for successful implementation.
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synopsis: The approach of group work on worksheets is laid out
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tags: teaching, pedagogy
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title: Teaching materials science and engineering students in the 21st century
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number: ''
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optnote: submitted
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pages: ''
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synopsis: A detailed case study is presented in how to model nanoparticle stucture
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synopsis: A detailed case study is presented in how to model nanoparticle structure
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from the PDF using diffpy cmi and attenuated crystal models
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tags: tio2, nanoparticle, oxide_nanoparticle, modeling
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title: 'Rapid modeling of the local structure of metal oxide nanoparticles from
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grant: gsk16
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journal: Molecular Pharmaceutics
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month: April
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nb: art, hilight
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nb: art, highlight
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notes: ''
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number: '7'
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optannote: ''
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public_summary: Advancements in engineering have led to widespread utilization of
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increasingly complex materials in devices that have become integral parts of our
1248012479
everyday lives. A few examples of this complexity include the dynamic rearrangement
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of atoms in various geometric patterns durring use (i.e. batteries) and the use
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of atoms in various geometric patterns during use (i.e. batteries) and the use
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of materials that require precise control of atom configuration during manufacturing.
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In order to improve the devices that depend on these complex materials, we need
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to gain a better understanding of how the atomic configuration changes over time
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and space. Determing the average configuration of atoms throughout space and time
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and space. Determining the average configuration of atoms throughout space and time
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is a difficult task, typically requiring that geometric models be developed and
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subsequently tracked over a large number of experimental signals. However, recent
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advancements in machine learning has lead to the development of tools that can
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track these kinds of signals over space and time without the need to develop or
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utilize a geometric model. This can rapidly provide unforseen insight into how
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utilize a geometric model. This can rapidly provide unforeseen insight into how
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the atoms are rearranging from one measurement to the next. This work describes
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a new web application that makes utilization of this algorithm, known as NMF,
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intuitive for scientists that specialize in tracking average atomic arrangements.
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synopsis: A web application called nmfMapping was created and launched on the pdfitc.org
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website. This application provides a graphical interface for performing NMF decomposition
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of powder x-ray diffraction (PXRD) and atomic pair distribtion function (PDF)
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of powder x-ray diffraction (PXRD) and atomic pair distribution function (PDF)
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data. This paper describes the utility of this application through a description
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of the interface, along with two examples of how the app has been used to accelerate
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the analysis process.

db/institutions.yml

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@@ -854,7 +854,7 @@ famufsu:
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fau:
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aka:
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- FAU
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- Erlangen Univeristy
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- Erlangen University
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city: Erlangen
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country: Germany
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name: Friedrich-Alexander-Universität Erlangen-Nürnberg
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physics:
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aka:
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- IPB
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- Institue of Physics Belgrade
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- Institute of Physics Belgrade
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name: Institute of Physics
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name: University of Belgrade
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street: Studentski trg 1
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unina:
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aka:
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- University of Napoli Federico II
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- Univeristy of Naples Federico II
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- University of Naples Federico II
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- Universita degli Studo di Napoli Federico II
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city: Naples
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country: Italy
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zip: '84084'
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unotredame:
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aka:
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- Nore Dame
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- Notre Dame
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- NDU
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city: Notre Dame
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country: USA
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city: Regensburg
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country: Germany
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date: 2022-01-18
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name: Regensburg Univeristy
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name: Regensburg University
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updated: 2022-01-18 08:01:39.959312
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uuid: 9823f4d6-3edf-424f-87ea-c8736ea6dbe1
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zip: '93053'
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country: Italy
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departments:
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physics:
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name: Department of Physcis
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name: Department of Physics
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name: University of Rome, `La Sapienza'
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state: ''
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street: Piazzale Aldo Moro 5

db/news.yml

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month: Dec
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CJ_SWC:
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author: Christpher Wright
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body: Christpher took part in the Foundations of Reseach Computing's first Software Carpentry
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Workshp as an instructure
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author: Christopher Wright
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body: Christopher took part in the Foundations of Research Computing's first Software Carpentry
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Workshop as an instructor
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day: 27
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month: August
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year: 2018
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2020
month: March
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year: 2018
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FRC:
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author: Christpher Wright
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body: Christpher joins the Foundations of Research Computing Advisory Committe to
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author: Christopher Wright
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body: Christopher joins the Foundations of Research Computing Advisory Committee to
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advance their mission of helping Columbia University graduate students to develop
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fundamental skills for harnessing computation.
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day: 30

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