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Expand Up @@ -11,6 +11,9 @@ @article{Birch1947
doi = {10.1103/PhysRev.71.809},
urldate = {2012-03-03}
}
% == BibTeX quality report for Birch1947:
% ? Title looks like it was stored in title-case in Zotero
% ? unused Url ("http://prola.aps.org/abstract/PR/v71/i11/p809_1")
@article{Cairns2015,
title = {Negative Linear Compressibility},
Expand All @@ -24,8 +27,13 @@ @article{Cairns2015
pages = {20449--20465},
issn = {1463-9076},
doi = {10.1039/C5CP00442J},
abstract = {While all materials reduce their intrinsic volume under hydrostatic (uniform) compression, a select few actually expand along one or more directions during this process of densification.},
archiveprefix = {arxiv},
keywords = {Condensed Matter - Materials Science},
file = {/Users/pczmjc1/Library/CloudStorage/OneDrive-TheUniversityofNottingham/Papers/Zotero/2015/Physical Chemistry Chemical Physics/Cairns_Goodwin_2015_Negative linear compressibility.pdf}
}
% == BibTeX quality report for Cairns2015:
% ? unused Url ("http://xlink.rsc.org/?DOI=C5CP00442J")
@article{chenNegativeThermalExpansion2015,
title = {Negative Thermal Expansion in Functional Materials: Controllable Thermal Expansion by Chemical Modifications},
Expand All @@ -40,7 +48,11 @@ @article{chenNegativeThermalExpansion2015
doi = {10.1039/C4CS00461B},
urldate = {2023-04-02},
langid = {english},
file = {/Users/pczmjc1/Zotero/storage/XCDWYHZJ/Chen et al. - 2015 - Negative thermal expansion in functional materials.pdf}
}
% == BibTeX quality report for chenNegativeThermalExpansion2015:
% ? unused Library catalog ("pubs.rsc.org")
% ? unused Url ("https://pubs.rsc.org/en/content/articlelanding/2015/cs/c4cs00461b")
@article{Cliffe2012b,
title = {{{PASCal}}: {{A}} Principal Axis Strain Calculator for Thermal Expansion and Compressibility Determination},
Expand All @@ -56,8 +68,13 @@ @article{Cliffe2012b
issn = {00218898},
doi = {10.1107/S0021889812043026},
urldate = {2014-01-16},
abstract = {This article describes a web-based tool (PASCal; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice parameter data. In a series of three case studies, PASCal is used to reanalyse previously published lattice parameter data and show that additional scientific insight is obtainable in each case. First, the two-dimensional metal-organic framework [Cu2(OH)(C8H3O7S)(H2O)].2H2O is found to exhibit the strongest area negative thermal expansion (NTE) effect yet observed; second, the widely used explosive HMX exhibits much stronger mechanical anisotropy than had previously been anticipated, including uniaxial NTE driven by thermal changes in molecular conformation; and third, the high-pressure form of the mineral malayaite is shown to exhibit a strong negative linear compressibility effect that arises from correlated tilting of SnO6 and SiO4 coordination polyhedra.},
archiveprefix = {arxiv},
keywords = {compressibility,computer programs,PASCal,thermal expansion},
file = {/Users/pczmjc1/Library/CloudStorage/OneDrive-TheUniversityofNottingham/Papers/Zotero/2012/Journal of Applied Crystallography/Cliffe_Goodwin_2012_PASCal.pdf;/Users/pczmjc1/Library/CloudStorage/OneDrive-TheUniversityofNottingham/Papers/Zotero/Cliffe_Goodwin_2012_PASCal.pdf}
}
% == BibTeX quality report for Cliffe2012b:
% ? unused Url ("http://scripts.iucr.org/cgi-bin/paper?S0021889812043026")
@article{ELATE2016,
title={ELATE: an open-source online application for analysis and visualization of elastic tensors},
Expand All @@ -67,7 +84,6 @@ @article{ELATE2016
number={27},
pages={275201},
year={2016},
doi = {10.1088/0953-8984/28/27/275201},
publisher={IOP Publishing}
}

Expand All @@ -80,9 +96,12 @@ @book{Giacovazzo2011
doi = {10.1093/acprof:oso/9780199573653.001.0001},
publisher = {{International Union of Crystallography}}
}
% == BibTeX quality report for Giacovazzo2011:
% ? Title looks like it was stored in title-case in Zotero
% ? unused Number of pages ("842")
@article{Goodwin2008a,
title = {Large negative linear compressibility of},
title = {Large Negative Linear Compressibility of {{Ag3}}[{{Co}}({{CN}})6].},
author = {Goodwin, Andrew L and Keen, David A and Tucker, Matthew G},
year = {2008},
month = dec,
Expand All @@ -93,12 +112,17 @@ @article{Goodwin2008a
issn = {0027-8424},
doi = {10.1073/pnas.0804789105},
urldate = {2012-04-11},
abstract = {Silver(I) hexacyanocobaltate(III), Ag(3)[Co(CN)(6)], shows a large negative linear compressibility (NLC, linear expansion under hydrostatic pressure) at ambient temperature at all pressures up to our experimental limit of 7.65(2) GPa. This behavior is qualitatively unaffected by a transition at 0.19 GPa to a new phase Ag(3)[Co(CN)(6)]-II, whose structure is reported here. The high-pressure phase also shows anisotropic thermal expansion with large uniaxial negative thermal expansion (NTE, expansion on cooling). In both phases, the NLC/NTE effect arises as the rapid compression/contraction of layers of silver atoms--weakly bound via argentophilic interactions--is translated via flexing of the covalent network lattice into an expansion along a perpendicular direction. It is proposed that framework materials that contract along a specific direction on heating while expanding macroscopically will, in general, also expand along the same direction under hydrostatic pressure while contracting macroscopically.},
pmid = {19028875},
keywords = {Cobalt,Cobalt: chemistry,Compressive Strength,Cyanides,Cyanides: chemistry,Molecular Structure,Pressure,Silver Compounds,Silver Compounds: chemistry,Temperature},
file = {/Users/pczmjc1/Library/CloudStorage/OneDrive-TheUniversityofNottingham/Papers/Zotero/2008/Proceedings of the National Academy of Sciences of the United States of America/Goodwin et al_2008_Large negative linear compressibility of Ag3[Co(CN)6].pdf}
}
% == BibTeX quality report for Goodwin2008a:
% ? unused Url ("http://www.pnas.org/cgi/content/abstract/105/48/18708")
@article{harrisArrayProgrammingNumPy2020,
title = {Array Programming with {{NumPy}}},
author = {Harris, Charles R. and others},
author = {Harris, Charles R. and Millman, K. Jarrod and {van der Walt}, St{\'e}fan J. and Gommers, Ralf and Virtanen, Pauli and Cournapeau, David and Wieser, Eric and Taylor, Julian and Berg, Sebastian and Smith, Nathaniel J. and Kern, Robert and Picus, Matti and Hoyer, Stephan and {van Kerkwijk}, Marten H. and Brett, Matthew and Haldane, Allan and {del R{\'i}o}, Jaime Fern{\'a}ndez and Wiebe, Mark and Peterson, Pearu and {G{\'e}rard-Marchant}, Pierre and Sheppard, Kevin and Reddy, Tyler and Weckesser, Warren and Abbasi, Hameer and Gohlke, Christoph and Oliphant, Travis E.},
year = {2020},
month = sep,
journal = {Nature},
Expand All @@ -109,9 +133,16 @@ @article{harrisArrayProgrammingNumPy2020
issn = {1476-4687},
doi = {10.1038/s41586-020-2649-2},
urldate = {2021-12-06},
abstract = {Array programming provides a powerful, compact and expressive syntax for accessing, manipulating and operating on data in vectors, matrices and higher-dimensional arrays. NumPy is the primary array programming library for the Python language. It has an essential role in research analysis pipelines in fields as diverse as physics, chemistry, astronomy, geoscience, biology, psychology, materials science, engineering, finance and economics. For example, in astronomy, NumPy was an important part of the software stack used in the discovery of gravitational waves1 and in the first imaging of a black hole2. Here we review how a few fundamental array concepts lead to a simple and powerful programming paradigm for organizing, exploring and analysing scientific data. NumPy is the foundation upon which the scientific Python ecosystem is constructed. It is so pervasive that several projects, targeting audiences with specialized needs, have developed their own NumPy-like interfaces and array objects. Owing to its central position in the ecosystem, NumPy increasingly acts as an interoperability layer between such array computation libraries and, together with its application programming interface (API), provides a flexible framework to support the next decade of scientific and industrial analysis.},
copyright = {2020 The Author(s)},
langid = {english},
keywords = {Computational neuroscience,Computational science,Computer science,Software,Solar physics},
annotation = {Bandiera\_abtest: a Cc\_license\_type: cc\_by Cg\_type: Nature Research Journals Primary\_atype: Reviews Subject\_term: Computational neuroscience;Computational science;Computer science;Software;Solar physics Subject\_term\_id: computational-neuroscience;computational-science;computer-science;software;solar-physics},
file = {/Users/pczmjc1/Library/CloudStorage/OneDrive-TheUniversityofNottingham/Papers/Zotero/2020/Nature/Harris et al_2020_Array programming with NumPy.pdf;/Users/pczmjc1/Zotero/storage/EQYI79QF/s41586-020-2649-2.html}
}
% == BibTeX quality report for harrisArrayProgrammingNumPy2020:
% ? unused Library catalog ("www.nature.com")
% ? unused Url ("https://www.nature.com/articles/s41586-020-2649-2")
@article{Hodgson2014,
title = {Negative Area Compressibility in Silver({{I}}) Tricyanomethanide.},
Expand All @@ -127,12 +158,16 @@ @article{Hodgson2014
issn = {1364-548X},
doi = {10.1039/c3cc47032f},
urldate = {2014-08-08},
abstract = {The molecular framework Ag(tcm) (tcm(-) = tricyanomethanide) expands continuously in two orthogonal directions under hydrostatic compression. The first of its kind, this negative area compressibility behaviour arises from the flattening of honeycomb-like layers during rapid pressure-driven collapse of the interlayer separation.},
pmid = {24350329},
file = {/Users/pczmjc1/Library/CloudStorage/OneDrive-TheUniversityofNottingham/Papers/Zotero/2014/Chemical Communications/Hodgson et al_2014_Negative area compressibility in silver(I) tricyanomethanide.pdf}
}
% == BibTeX quality report for Hodgson2014:
% ? unused Url ("http://www.ncbi.nlm.nih.gov/pubmed/24350329")
@article{kondrakovAnisotropicLatticeStrain2017,
title = {Anisotropic {{Lattice Strain}} and {{Mechanical Degradation}} of {{High-}} and {{Low-Nickel NCM Cathode Materials}} for {{Li-Ion Batteries}}},
author = {Kondrakov, Aleksandr O. and others},
author = {Kondrakov, Aleksandr O. and Schmidt, Alexander and Xu, Jin and Ge{\ss}wein, Holger and M{\"o}nig, Reiner and Hartmann, Pascal and Sommer, Heino and Brezesinski, Torsten and Janek, J{\"u}rgen},
year = {2017},
month = feb,
journal = {The Journal of Physical Chemistry C},
Expand All @@ -143,7 +178,13 @@ @article{kondrakovAnisotropicLatticeStrain2017
issn = {1932-7447},
doi = {10.1021/acs.jpcc.6b12885},
urldate = {2023-04-02},
abstract = {In the near future, the targets for lithium-ion batteries concerning specific energy and cost can advantageously be met by introducing layered LiNixCoyMnzO2 (NCM) cathode materials with a high Ni content (x {$\geq$} 0.6). Increasing the Ni content allows for the utilization of more lithium at a given cell voltage, thereby improving the specific capacity but at the expense of cycle life. Here, the capacity-fading mechanisms of both typical low-Ni NCM (x = 0.33, NCM111) and high-Ni NCM (x = 0.8, NCM811) cathodes are investigated and compared from crystallographic and microstructural viewpoints. In situ X-ray diffraction reveals that the unit cells undergo different volumetric changes of around 1.2 and 5.1\% for NCM111 and NCM811, respectively, when cycled between 3.0 and 4.3 V vs Li/Li+. Volume changes for NCM811 are largest for x(Li) {$<$} 0.5 because of the severe decrease in interlayer lattice parameter c from 14.467(1) to 14.030(1) \AA. In agreement, in situ light microscopy reveals that delithiation leads to different volume contractions of the secondary particles of (3.3 {$\pm$} 2.4) and (7.8 {$\pm$} 1.5)\% for NCM111 and NCM811, respectively. And postmortem cross-sectional scanning electron microscopy analysis indicates more significant microcracking in the case of NCM811. Overall, the results establish that the accelerated aging of NCM811 is related to the disintegration of secondary particles caused by intergranular fracture, which is driven by mechanical stress at the interfaces between the primary crystallites.}
}
% == BibTeX quality report for kondrakovAnisotropicLatticeStrain2017:
% ? Title looks like it was stored in title-case in Zotero
% ? unused Journal abbreviation ("J. Phys. Chem. C")
% ? unused Library catalog ("ACS Publications")
% ? unused Url ("https://doi.org/10.1021/acs.jpcc.6b12885")
@misc{plotlytechnologiesincCollaborativeDataScience2015,
title = {Collaborative Data Science},
Expand All @@ -152,6 +193,8 @@ @misc{plotlytechnologiesincCollaborativeDataScience2015
address = {{Montr\'eal, QC (Canada)}},
url = {https://plot.ly}
}
% == BibTeX quality report for plotlytechnologiesincCollaborativeDataScience2015:
% ? unused Url ("https://plot.ly")
@article{Sata2002,
title = {Pressure-Volume Equation of State of the High-Pressure {{B2}} Phase of {{NaCl}}},
Expand All @@ -165,12 +208,15 @@ @article{Sata2002
issn = {0163-1829},
doi = {10.1103/PhysRevB.65.104114},
urldate = {2012-02-29},
file = {/Users/pczmjc1/Library/CloudStorage/OneDrive-TheUniversityofNottingham/Papers/Zotero/2002/Physical Review B/Sata et al_2002_Pressure-volume equation of state of the high-pressure B2 phase of NaCl.pdf}
}
% == BibTeX quality report for Sata2002:
% ? unused Url ("http://prb.aps.org/abstract/PRB/v65/i10/e104114")
@article{virtanenSciPyFundamentalAlgorithms2020,
title = {{{SciPy}} 1.0: Fundamental Algorithms for Scientific Computing in {{Python}}},
shorttitle = {{{SciPy}} 1.0},
author = {Virtanen, Pauli and others},
author = {Virtanen, Pauli and Gommers, Ralf and Oliphant, Travis E. and Haberland, Matt and Reddy, Tyler and Cournapeau, David and Burovski, Evgeni and Peterson, Pearu and Weckesser, Warren and Bright, Jonathan and {van der Walt}, St{\'e}fan J. and Brett, Matthew and Wilson, Joshua and Millman, K. Jarrod and Mayorov, Nikolay and Nelson, Andrew R. J. and Jones, Eric and Kern, Robert and Larson, Eric and Carey, C. J. and Polat, {\.I}lhan and Feng, Yu and Moore, Eric W. and VanderPlas, Jake and Laxalde, Denis and Perktold, Josef and Cimrman, Robert and Henriksen, Ian and Quintero, E. A. and Harris, Charles R. and Archibald, Anne M. and Ribeiro, Ant{\^o}nio H. and Pedregosa, Fabian and {van Mulbregt}, Paul},
year = {2020},
month = mar,
journal = {Nature Methods},
Expand All @@ -181,6 +227,13 @@ @article{virtanenSciPyFundamentalAlgorithms2020
issn = {1548-7105},
doi = {10.1038/s41592-019-0686-2},
urldate = {2023-04-01},
abstract = {SciPy is an open-source scientific computing library for the Python programming language. Since its initial release in 2001, SciPy has become a de facto standard for leveraging scientific algorithms in Python, with over 600 unique code contributors, thousands of dependent packages, over 100,000 dependent repositories and millions of downloads per year. In this work, we provide an overview of the capabilities and development practices of SciPy 1.0 and highlight some recent technical developments.},
copyright = {2020 The Author(s)},
langid = {english},
keywords = {Biophysical chemistry,Computational biology and bioinformatics,Technology},
file = {/Users/pczmjc1/Zotero/storage/YK52IXWH/Virtanen et al. - 2020 - SciPy 1.0 fundamental algorithms for scientific c.pdf}
}
% == BibTeX quality report for virtanenSciPyFundamentalAlgorithms2020:
% ? unused Journal abbreviation ("Nat Methods")
% ? unused Library catalog ("www.nature.com")
% ? unused Url ("https://www.nature.com/articles/s41592-019-0686-2")

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