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CDAC Publications 2016

1440.  Falls, Z., D. C. Lonie, P. Avery, A. Shamp, and E. Zurek, XtalOpt Version r9: An open-source evolutionary algorithm for crystal structure prediction. Computational Physics Communications 119, 178-179 (2016).

1441.  Pigott, J. S., D. A. Ditmer, R. A. Fischer, D. M. Reaman, R. Hrubiak, Y. Meng, R. J. Davis, and W. R. Panero, High-pressure, high temperature equations of state using nanofabricated controlled geometry Ni/SiO2/Ni double hot-plate samples. Geophysical Research Letters 42, 239-247 (2016).

1442.  Raju, S. V., B. K. Godwal, J. Yan, R. Jeanloz, and S. K. Saxena, Yield strength of Ni–Al–Cr superalloy under pressure.  Journal of Alloys and Compounds 657, 889-892 (2016).

1443.  Smith, S. J., J. M. Montgomery, and Y. K. Vohra, High-pressure high-temperature phase diagram of organic crystal paracetamol.  Journal of Physics : Condensed Matter 28, 035101 (2016).

1444.  Frost, M., R. T. Howie, P. Dalladay-Simpson, A. F. Goncharov, and E. Gregoryanz, Novel high-pressure nitrogen phase formed by compression at low temperature.  Physical Review B 93, 024113 (2016).

1445.  Xiao, F., Z. Dong, H.-k. Mao, J. Liu, X. Sun, and Y. Song, Morphology- and lattice stability-dependent performance of nanostructured Li4Ti5O12 probed by in situ high-pressure Raman spectroscopy and synchrotron X-ray diffraction.  Crystal Engineering Communications 18, 736-743 (2016).

1446.  Yamanaka, T., Y. Nakamoto, F. Takei, M. Ahart, H.-k. Mao, and R. J. Hemley, Pressure-induced ferroelectric to paraelectric transition in LiTaO3 and (Li,Mg)TaO3Journal of Applied Physics 119, 075902 (2016).

1447.  Kim, M. and C.-s. Yoo, Phase transitions in I2O5 at high pressures: Raman and x-ray diffraction studies. Chemical Physics Letters 648, 13-18 (2016).

1448.  Shamp, A., T. Terpstra, T. Bi, Z. Falls, P. Avery, and E. Zurek, Decomposition products of phosphone under pressure: PH2 stable and superconducting?  Journal of the American Chemical Society 138, 1884-1892 (2016).

1449.  Liu, H., Y. Li, G. Gao, J. S. Tse, and I. I. Naumov, Crystal structure and superconductivity of PH3 at high pressures.  Journal of Physical Chemistry C 120, 3458-3461 (2016).

1450.  Huang, Q. H., K. N. Tran, J. M. Rodgers, D. H. Bartlett, R. J. Hemley, and T. Ichiye, A molecular perspective on the limits of life: Enzymes under pressure. Condensed Matter Physics 19, 22801 (2016).

1451.  Satapathy, S., M. Ahart, D. Dandekar, R. J. Hemley, B. Schuster, and P. Khoma, Single-crystal elastic properties of aluminum oxynitride (AlON) from Brillouin scattering.  Journal of the American Ceramic Society 99, 1383-1389 (2016).

1452.  Karandikar, A. and R. Boehler, Flash melting of tantalum in a diamond cell to 85 GPa.  Physical Review B 93, 054107 (2016).

1453.  Lu, S., H. Liu, I. I. Naumov, S. Meng, Y. Li, J. S. Tse, B. Yang, and R. J. Hemley, Superconductivity in dense carbon-based materials.  Physical Review B 93, 104509 (2016).

1454.  Duwal, S. and C.-s. Yoo, Shear-induced isostructural phase transition and metallization of layered tungsten disulfide under non-hydrostatic compression.  Journal of Physical Chemistry C 120, 5101 (2016).

1455.  Dias, R., M. Kim, and C.-s. Yoo, Structural phase transitions and metallization of GeS at high pressures.  Physical Review B 93, 104107 (2016).

1456.  Hushur, A., M. Manghnani, H. Werheit, and P. Dera, High-pressure phase transition makes B4.3C boron carbide a wide-gap semiconductor.  Journal of Physics: Condensed Matter 28, 045403 (2016).

1457.  Millot, M., N. Dubrovinskaia, A. Černok, S. Blaha, L. Dubrovinsky, D. G. Braun, P. M. Celliers, G. W. Collins, J. H. Eggert, and R. Jeanloz, Shock compression of stishovite and melting of silica at planetary interior conditions.  Science 347, 418-420 (2016).

1458.  Romanowicz, B., A. Cao, B. Godwal, H.-R. Wenk, S. Ventosa, and R. Jeanloz, Seismic anisotropy in the Earth’s innermost inner core: Testing structural models against mineral physics predictions. Geophysical Research Letters 43, 93-100 (2016).

1459.  Bhadram, V. S., D. Y. Kim, and T. A. Strobel, High-pressure synthesis and characterization of incompressible titanium pernitride.  Chemistry of Materials 28, 1616-1620 (2016).

1460.  Jacobsen, M. K., N. Velisavljevic, D. M. Dattelbaum, R. Chellappa, and C. Park, High pressure and temperature equation of state and spectroscopic study of CeO2. Journal of Physics : Condensed Matter 28, 155401 (2016).

1461.  Montgomery, J. M., G. K. Samudrala, N. Velisavljevic, and Y. Vohra, High-pressure high-temperature phase diagram of gadolinium studied using a boron-doped heater anvil.  Journal of Applied Physics 119, 135902 (2016).

1462.  Zhang, F. X., C. Tracy, M. Lang, and R. C. Ewing, Stability of fluorite-type La2Ce2O7 under extreme conditions.  Journal of Alloys and Compounds 674, 168-173 (2016).

1463. (FIS)  O’Neal, K. R., J. Zhou, J. G. Cherian, M. M. Turnbull, C. P. Landee, P. Jena, Z. Liu, and J. L. Musfeldt, Pressure-induced structural transition in copper pyrazine dinitrate and implications for quantum magnetism.  Physical Review B 93, 104409 (2016).

1464.  (FIS)  O’Neal, K. R., J. G. Cherian, A. Zak, R. Tenne, Z. Liu, and J. L. Musfeldt, High pressure vibrational properties of WS2 nanotubes.  Nano Letters 16, 993-999 (2016).

1465.  Shahar, A., E. A. Schauble, R. Caracas, A. E. Gleason, M. M. Reagan, Y. Xiao, J. Shu, and W. L. Mao, Pressure-dependent isotopic composition of iron alloys.  Science 352, 580-582 (2016).

1466.  Ciezak-Jenkins, J. A., High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone.  Journal of Molecular Structure 1119, 71-77 (2016).

1467.  Butch, N. P., J. Paglione, P. Chow, Y. Xiao, C. A. Marianetti, C. H. Booth, and J. R. Jeffries, Pressure-resistant intermediate valence in the Kondo insulator SmB6. Physical Review Letters 116, 156401 (2016).

1468.  Muramatsu, T., L. V. Gasparov, H. Berger, R. J. Hemley, and V. V. Struzhkin, Electrical resistance of single-crystal magnetite (Fe3O4) under quasi-hydrostatic pressures up to 100 GPa.  Journal of Applied Physics 119, 135903 (2016).

1469.  Tracy, S. J., L. Mauger, H. L. Smith, H. J. Tan, J. E. Herriman, Y. M. Xiao, and B. T. Fultz, Polaron mobility and disordering of the sodium sublattice in triphylite-NaxFePO4Chemistry of Materials 28, 3051-3059 (2016).

1470.  Thompson, E. C., B. A. Chidester, R. A. Fischer, G. I. Myers, D. L. Heinz, V. B. Prakapenka, and A. J. Campbell, Equation of state of pyrite to 80 GPa and 2400 K.  American Mineralogist 101, 1046-1051 (2016).

1471.  Bi, W., J. Lim, G. Fabbris, J. Zhao, D. Haskel, E. E. Alp, M. Y. Hu, P. Chow, Y. Xiao, W. Xu, and J. S. Schilling, Magnetism of europium under extreme pressures.  Physical Review B 93, 184424 (2016).

1472.  Banishev, A. A., W. L. Shaw, W. P. Bassett, and D. D. Dlott, High-speed laser-launched flyer impacts studied with ultrafast photography and velocimetry.  Journal of Dynamic Behavior of Materials 2, 194-206 (2016).

1473. Shelton, H., M. C. Barkley, P. Dera, R. T. Downs, and R. Miletich, Hydrogen bond effects on compressional behavior of isotypic minerals: High-pressure polymorphism of Be(OH)2Physics and Chemistry of Minerals 43, 571 (2016).

1474.  McWilliams, R. S., D. A. Dalton, M. F. Mahmood, and A. F. Goncharov, Optical properties of fluid hydrogen at the transition to a conducting state.  Physical Review Letters 116, 255501 (2016).

1475.  Stillwell, R. L., Z. Jenei, S. T. Weir, Y. K. Vohra, and J. R. Jeffries, Superconducting Bi2Te: Pressure-induced universality in the (Bi2)m(Bi2Te3)n series.  Physical Review B 93, 094511 (2016).

1476.  Glazyrin, K., N. Miyajima, J. S. Smith, and K. K. M. Lee, Compression of a multiphase mantle assemblage: Effects of undesirable stress and stress annealing on the iron spin state crossover in ferropericlase.  Journal of Geophysical Research: Solid Earth 121, 3377-3392 (2016).

1477.  Feng, B., V. I. Levitas, and R. J. Hemley, Large elastoplasticity under static megabar pressures: formulation and application to compression of samples in diamond anvil cells.  International Journal of Plasticity 84, 33-57 (2016).

1478.  Dorfman, S. M., S. E. Dutton, V. Potapkin, A. I. Chumakov, J. P. Rueff, P. Chow, Y. Xiao, R. J. Cava, T. S. Duffy, C. A. McCammon, and P. Gillet, Electronic transitions of iron in almandine-composition glass to 91 GPa.  American Mineralogist 101, 1659-1667 (2016).

1479.  Li, N., B. Manoun, L. Tang, F. Ke, F. Liu, H. Dong, P. Lazor, and W. Yang, Pressure-induced structural and electronic transition in Sr2ZnWO6 double perovskite. Inorganic Chemistry 55, 6770-6775 (2016).

1480.   Hemawan, K. W., D. W. Keefer, J. V. Badding, and R. J. Hemley, Generation of microwave capillary argon plasmas at atmospheric pressure. IEEE Transactions on Plasma Science 44, 2603-2607 (2016).

1481.  Liu, X., X. Chen, H. A. Ma, X. Jia, J. Wu, T. Yu, Y. Wang, J. Guo, S. Petitgirard, C. R. Bina, and S. D. Jacobsen, Ultrahard stitching of nanotwinned diamond and cubic boron nitride in ultrahard C2-BN composite.  Scientific Reports 6, 30518 (2016).

1482.  Dong, Z., F. Xiao, A. Zhao, L. Liu, T. K. Sham, and Y. Song, Pressure induced structural transformations of anatase TiO2 nanotubes probed by Raman spectroscopy and synchrotron X-ray diffraction. RSC Advances 6, 76142-76150 (2016).

1483. (FIS)  Wang, Y., J. Zhu, W. Yang, T. Wen, M. Pravica, Z. Liu, M. Hou, Y. Fei, L. Kang, Z. Lin, C. Jin, and Y. Zhao, Reversible switching between pressure-induced amorphization and thermal-driven recrystallization in VO2(B) nanosheets.  Nature Communications 7, 12214 (2016).

1484.  Miyagi, L. and H.-R. Wenk, Texture development and slip systems in bridgmanite and bridgmanite + ferropericlase aggregates.  Physics and Chemistry of Minerals 43, 597-613 (2016).

1485.  Yang, F. C., J. A. Muñoz, O. Hellman, L. Mauger, M. S. Lucas, S. J. Tracy, M. B. Stone, D. L. Abernathy, Y. Xiao, and B. Fultz, Thermally-driven electronic topological transition in FeTi.  Physical Review Letters 117, 076402 (2016).

1486. Bassett, W. P. and D. D. Dlott, High dynamic range emission measurements of shocked energetic materials: Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).  Journal of Applied Physics 119, 225103 (2016).

1487. Bassett, W. P. and D. D. Dlott, Shock initiation of explosives: Temperature spikes and growth spurts.  Applied Physics Letters 109, 091903 (2016).

1488.  Zhang, F. X., C. L. Tracy, J. Shamblin, R. I. Palomares, M. Lang, S. Park, C. Park, S. Tkachev, and R. C. Ewing, Pressure-induced phase transitions of β-type pyrochlore CsTaWO6RSC Advances 6, 94287-94293 (2016).

1489.  Struzhkin, V. V., D. Y. Kim, E. Stavrou, T. Muramatsu, H.-k. Mao, C. J. Pickard, R. J. Needs, V. B. Prakapenka, and A. F. Goncharov, Synthesis of sodium polyhydrides at high pressures.  Nature Communications 7, 12267 (2016).

1490.  Xiao, P., Z. Kang, A. A. Banishev, J. Breidenich, D. A. Scripka, J. M. Christensen, C. J. Summers, D. D. Dlott, N. N. Thadhani, and M. Zhou, Laser-excited optical emission response of CdTe quantum dot/polymer nanocomposite under shock compression.  Applied Physics Letters 108, 011908 (2016).

1491.  Samudrala, G. K., S. L. Moore, N. Velisavljevic, G. Tsoi, P. A. Baker, and Y. K. Vohra, Nanocrystalline diamond micro-anvil grown on single crystal diamond as a generator of ultra-high pressures.  AIP Advances 6, 095027 (2016).

1492.   Gu, T., M. Li, C. A. McCammon, and K. K. M. Lee, Redox-induced lower mantle density contrast and effect on mantle structure and primitive oxygen.  Nature Geoscience 9, 723-727 (2016).

1493.  Kang, Z., A. A. Banishev, G. Lee, D. A. Scripka, J. Breidenich, F. Xiao, J. Christensen, M. Zhou, C. J. Summers, D. D. Dlott, and N. N. Thadhani, Exploration of CdTe quantum dots as mesoscale pressure sensors via time-resolved shock-compression photoluminescent emission spectroscopy.  Journal of Applied Physics 120, 043107 (2016).

1494.  Liu, H., I. I. Naumov, and R. J. Hemley, Dense hydrocarbon structures at megabar pressures.  Journal of Physical Chemistry Letters 7, 4218-4222 (2016).

1495.  Vinitsky, E. A., T. Muramatsu, M. Somayazulu, W. K. Wanene, Z. Liu, D. Chandra, and R. J. Hemley, Structural, vibrational, and electronic properties of BaReH9 under pressure.  Journal of Physics : Condensed Matter 28, 505701 (2016).

1496.  Strobel, T. A., M. Somayazulu, S. V. Sinogeikin, P. Dera, and R. J. Hemley, Hydrogen-stuffed, quartz-like water ice.  Journal of the American Chemical Society 138, 13786-13789 (2016).

1497.  Qin, F., X. Wu, Y. Wang, D. Fan, S. Qin, K. Yang, and S. D. Jacobsen, High-pressure behavior of natural single-crystal epidote and clinozoisite up to 40 GPa.  Physics and Chemistry of Minerals 43, 649-659 (2016).

1498.  Kaercher, P., L. Miyagi, W. Kanitpanyacheroen, E. Zepeda-Alarcon, Y. Wang, D. Parkinson, R. Lebensohn, F. De Carlo, and H.-R. Wenk, Two phase deformation of lower mantle mineral analogs.  Earth and Planetary Science Letters 456, 134-145 (2016).

1499.  Zhang, D., Y. Hu, and P. Dera, Compressional behavior of omphacite to 47 GPa.  Physics and Chemistry of Minerals 43, 707-715 (2016).

1500.  Naumov, I. I. and R. J. Hemley, Topological surface states in dense solid hydrogen.  Physical Review Letters 117, 206403 (2016).

1501.  Zhang, H., K. Li, G. D. Cody, C. A. Tulk, X. Dong, G. Gao, J. J. Molaison, X. Liu, M. Feygenson, W. Yang, I. N. Ivanov, L. Basile, J. C. Idrobo, M. Guthrie, and H.-k. Mao, Polymerization of acetonitrile via a hydrogen transfer reaction from CH3 to CN under extreme conditions.  Agnewandte Chemie International Edition 55, 12040-12044 (2016).

1502.  Fratanduono, D. E., P. M. Celliers, D. G. Braun, P. A. Sterne, S. Hamel, A. Shamp, E. Zurek, K. J. Wu, A. E. Lazicki, M. Millot, and G. W. Collins, Equation of state, adiabatic sound speed and Grüneisen coefficient of boron carbide along the principal Hugoniot to 700 GPa (7 Mbar).  Physical Review B 94, 184107 (2016).

1503.  Walsh, J. P. S., S. M. Clarke, Y. Meng, S. D. Jacobsen, and D. E. Freedman, Discovery of FeBi2. ACS Central Science 2, 867-871 (2016).

1504.  (FIS) Brinzari, T. V., K. R. O’Neal, J. L. Manson, J. Schlueter, A. Litvinchuk, Z. Liu, and J. L. Musfeldt, Local lattice distortions in Mn[N(CN)2]2 under pressure, Inorganic Chemistry 55, 1956-1961 (2016).

1505. (FIS)  Cheng, B., Q. Li, H. Zhang, R. Liu, Z. Yao, T. Cui, J. Liu, Z. Liu, B. Sundqvist, and B. Liu, Pressure-induced metallization and amorphization in VO2(A) nanorods.  Physical Review B 93, 184109 (2016).

1506.  Kong, L., G. Liu, J. Gong, Q. Hu, R. Schaller, P. Dera, D. Zhang, Z. Liu, W. Yang, K. Zhu, Y. Tang, C. Wang, S. H. Wei, T. Xu, and H.-k. Mao, Simultaneous band-gap narrowing and carrier-lifetime prolongation of organic–inorganic trihalide perovskites.  Proceedings of the National Academy of Sciences USA 113, 8910-8915 (2016).

1507.  Thompson, E. C., A. J. Campbell, and Z. Liu, In-situ infrared spectroscopic studies of hydroxyl in amphiboles at high pressure.  American Mineralogist 101, 706-712 (2016).

1508. Zheng, H., L. Wang, K. Li, Y. Yang, Y. Wang, J. Wu, X. Dong, C. H. Wang, C. A. Tulk, J. J. Molaison, I. N. Ivanov, M. Feygenson, W. Yang, M. Guthrie, Y. Zhao, H.-k. Mao, and C. Jin, Pressure induced polymerization of acetylide anions in CaC2 and 107 fold enhancement of electrical conductivity.  Chemical Science 8, 298-304 (2016).

1509.  Shiell, T. B., D. G. McCulloch, J. E. Bradby, B. Haberl, R. Boehler, and D. R. McKenzie, Nanocrystalline hexagonal diamond formed from glassy carbon.  Scientific Reports 6, 37232 (2016).

1510. Ryu, Y. J., M. Kim, J. Lim, R. Dias, D. Klug, and C.-s. Yoo, Dense carbon monoxide to 160 GPa: Stepwise polymerization to two-dimensional layered solid.  Journal of Physical Chemistry C 120, 27548-27554 (2016).

1511.  Keefer, D. W., H. Guo, A. P. Purdy, A. Epshteyn, D. Y. Kim, J. V. Badding, and T. A. Strobel, Pressure-induced polymerization of LiN(CN)2Journal of Physical Chemistry A 120, 9370-9377 (2016).

1512.  Kang, Z., A. A. Banishev, G. Lee, D. A. Scripka, J. Breidenich, F. Xiao, J. Christensen, M. Zhou, C. J. Summers, D. D. Dlott, and N. N. Thadhani, Exploration of CdTe quantum dots as mesoscale pressure sensors via time-resolved shock-compression photoluminescent emission spectroscopy.  Journal of Applied Physics 120, 043107 (2016).

1513. Duwal, S. and C. S. Yoo, Phase transformations and symmetrization of dense D2S.  Journal of Physical Chemistry C 120, 21770 (2016).

1514.  Chen, K., M. Kunz, Y. Li, M. Sintubin, E. Zepeda-Alarcon, and H.-R. Wenk, Compressional residual stress in Bastogne boudins revealed by synchrotron x-ray microdiffraction.  Geophysical Research Letters 43, 6178-6185 (2016).

1515.  Allan, A. M., A. C. Clark, T. Vanorio, W. Kanitpanyacharoen, and H.-R. Wenk, On the evolution of the elastic properties of organic-rich shale upon pyrolysis-induced thermal maturation.  Geophysics 81, D271-D289 (2016).

1516. (FIS)  O’Neal, K. R., B. Holinsworth, Z. Chen, P. Peterson, K. Carreiro, J. L. Manson, M. Whangbo, Z. Li, Z. Liu, and J. Musfeldt, Spin-lattice coupling in [Ni(HF2)(pyrazine)2]SbF6 involving the HF2 superexchange pathway.  Inorganic Chemistry 55, 12172-12178 (2016).

1517.  Clark, A. N., C. E. Lesher, S. D. Jacobsen, and Y. Wang, Anomalous density and elastic properties of basalt at high pressure: implications for reduction of seismic velocity in the Earth’s crust and upper mantle.  Journal of Geophysical Research: Solid Earth 121, 4232-4248 (2016).

1518.  Yang, J., J.-F. Lin, S. D. Jacobsen, N. M. Seymour, S. N. Tkachev, and V. B. Prakapenka, Elasticity of ferropericlase and seismic heterogeneityin the Earth’s lower mantle.  Journal of Geophysical Research: Solid Earth 121, 8488-8500 (2016).

1519.  A. Kavner and Rainey, E. S. G., Heat Transfer in the core and mantle.  In Deep Earth: Physics and Chemistry of the Lower Mantle and Core, H. Terasaki and R. A. Fischer, Eds. Geophysical Mongraph Series, Washington, DC:  American Geophysical Union (2016).

1520.  Zhang, H., Q. Li, B. Cheng, Z. Guan, R. Liu, B. Liu, Z. Liu, X. Li, T. Cui, and B. Liu, Structural transitions and metallization of monoclinic vanadium dioxide under high pressure.  RSC Advances 6, 104949-104954 (2016).

1521.  Zhang, L., J. R. Smyth, J. Allaz, T. Kawazoe, and S. D. Jacobsen, Transition metals in the transition zone: crystal chemistry of minor element substitution in wadsleyite.  American Mineralogist 101, 2322-2330 (2016).

1522.  Hemawan, K. W. and R. J. Hemley, Microwave plasmas: Single crystal diamond synthesis.  In Encyclopedia of Plasma Technology, J. Leon Shohet, Ed. CRC Boca Raton, FL: CRC Press (2016).

1523.   Townsend, J. P., J. Tsuchiya, C. R. Bina, and S. D. Jacobsen, Water partitioning between bridgmanite and postperovskite in the lowermost mantle.  Earth and Planetary Science Letters 454, 20-27 (2016).

1524.  Kavner, A.  W-WO joins the deep Earth electrochemical series.  American Mineralogist 101, 1025-1026 (2016).

1525.  Palot, M., S. D. Jacobsen, J. P. Townsend, F. Nestola, K. Marquardt, J. W. Harris, T. Satchel, C. A. McCammon, and D. G. Pearson, Evidence for water in the lower mantle from diamond inclusion.  Lithos 265, 237-243 (2016).