[{"date_updated":"2021-08-09T12:38:49Z","type":"journal_article","publisher":"American Physical Society","status":"public","intvolume":"        92","doi":"10.1103/physrevb.92.180102","_id":"9688","year":"2015","article_type":"original","user_id":"6785fbc1-c503-11eb-8a32-93094b40e1cf","arxiv":1,"date_created":"2021-07-19T10:07:22Z","language":[{"iso":"eng"}],"publication_identifier":{"issn":["1098-0121"],"eissn":["1550-235X"]},"quality_controlled":"1","date_published":"2015-11-01T00:00:00Z","oa":1,"volume":92,"article_processing_charge":"No","month":"11","citation":{"ista":"Cheng B, Tribello GA, Ceriotti M. 2015. Solid-liquid interfacial free energy out of equilibrium. Physical Review B - Condensed Matter and Materials Physics. 92(18), 180102.","short":"B. Cheng, G.A. Tribello, M. Ceriotti, Physical Review B - Condensed Matter and Materials Physics 92 (2015).","apa":"Cheng, B., Tribello, G. A., &#38; Ceriotti, M. (2015). Solid-liquid interfacial free energy out of equilibrium. <i>Physical Review B - Condensed Matter and Materials Physics</i>. American Physical Society. <a href=\"https://doi.org/10.1103/physrevb.92.180102\">https://doi.org/10.1103/physrevb.92.180102</a>","mla":"Cheng, Bingqing, et al. “Solid-Liquid Interfacial Free Energy out of Equilibrium.” <i>Physical Review B - Condensed Matter and Materials Physics</i>, vol. 92, no. 18, 180102, American Physical Society, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.92.180102\">10.1103/physrevb.92.180102</a>.","ieee":"B. Cheng, G. A. Tribello, and M. Ceriotti, “Solid-liquid interfacial free energy out of equilibrium,” <i>Physical Review B - Condensed Matter and Materials Physics</i>, vol. 92, no. 18. American Physical Society, 2015.","chicago":"Cheng, Bingqing, Gareth A. Tribello, and Michele Ceriotti. “Solid-Liquid Interfacial Free Energy out of Equilibrium.” <i>Physical Review B - Condensed Matter and Materials Physics</i>. American Physical Society, 2015. <a href=\"https://doi.org/10.1103/physrevb.92.180102\">https://doi.org/10.1103/physrevb.92.180102</a>.","ama":"Cheng B, Tribello GA, Ceriotti M. Solid-liquid interfacial free energy out of equilibrium. <i>Physical Review B - Condensed Matter and Materials Physics</i>. 2015;92(18). doi:<a href=\"https://doi.org/10.1103/physrevb.92.180102\">10.1103/physrevb.92.180102</a>"},"extern":"1","publication_status":"published","scopus_import":"1","article_number":"180102","oa_version":"Preprint","issue":"18","publication":"Physical Review B - Condensed Matter and Materials Physics","abstract":[{"text":"The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equilibrium conditions at which the interfacial free energy is ill defined. Here we draw a connection between the atomistic description of a diffuse solid-liquid interface and its thermodynamic characterization. This framework resolves the ambiguities in defining the solid-liquid interfacial free energy above and below the melting temperature. In addition, we introduce a simulation protocol that allows solid-liquid interfaces to be reversibly created and destroyed at conditions relevant for experiments. We directly evaluate the value of the interfacial free energy away from the melting point for a simple but realistic atomic potential, and find a more complex temperature dependence than the constant positive slope that has been generally assumed based on phenomenological considerations and that has been used to interpret experiments. This methodology could be easily extended to the study of other phase transitions, from condensation to precipitation. Our analysis can help reconcile the textbook picture of classical nucleation theory with the growing body of atomistic studies and mesoscale models of solidification.","lang":"eng"}],"day":"01","external_id":{"arxiv":["1511.08668"]},"author":[{"full_name":"Cheng, Bingqing","last_name":"Cheng","first_name":"Bingqing","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","orcid":"0000-0002-3584-9632"},{"last_name":"Tribello","full_name":"Tribello, Gareth A.","first_name":"Gareth A."},{"last_name":"Ceriotti","full_name":"Ceriotti, Michele","first_name":"Michele"}],"title":"Solid-liquid interfacial free energy out of equilibrium","main_file_link":[{"url":"https://arxiv.org/abs/1511.08668","open_access":"1"}]},{"article_number":"180509","doi":"10.1103/physrevb.92.180509","intvolume":"        92","date_updated":"2021-01-12T08:11:42Z","publication_status":"published","type":"journal_article","status":"public","extern":"1","publisher":"APS","abstract":[{"lang":"eng","text":"Torque magnetization measurements on YBa2Cu3Oy (YBCO) at doping y=6.67 (p=0.12), in dc fields (B) up to 33 T and temperatures down to 4.5 K, show that weak diamagnetism persists above the extrapolated irreversibility field Hirr(T=0)≈24 T. The differential susceptibility dM/dB, however, is more rapidly suppressed for B≳16 T than expected from the properties of the low field superconducting state, and saturates at a low value for fields B≳24 T. In addition, torque measurements on a p=0.11 YBCO crystal in pulsed field up to 65 T and temperatures down to 8 K show similar behavior, with no additional features at higher fields. We offer two candidate scenarios to explain these observations: (a) superconductivity survives but is heavily suppressed at high field by competition with charge-density-wave (CDW) order; (b) static superconductivity disappears near 24 T and is followed by a region of fluctuating superconductivity, which causes dM/dB to saturate at high field. The diamagnetic signal observed above 50 T for the p=0.11 crystal at 40 K and below may be caused by changes in the normal state susceptibility rather than bulk or fluctuating superconductivity. There will be orbital (Landau) diamagnetism from electron pockets and possibly a reduction in spin susceptibility caused by the stronger three-dimensional ordered CDW."}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","day":"23","publication":"Physical Review B","issue":"18","article_type":"original","oa_version":"None","year":"2015","_id":"7070","quality_controlled":"1","publication_identifier":{"issn":["1098-0121","1550-235X"]},"language":[{"iso":"eng"}],"author":[{"last_name":"Yu","first_name":"Jing Fei","full_name":"Yu, Jing Fei"},{"full_name":"Ramshaw, B. J.","last_name":"Ramshaw","first_name":"B. J."},{"last_name":"Kokanović","first_name":"I.","full_name":"Kokanović, I."},{"id":"13C26AC0-EB69-11E9-87C6-5F3BE6697425","full_name":"Modic, Kimberly A","last_name":"Modic","first_name":"Kimberly A","orcid":"0000-0001-9760-3147"},{"last_name":"Harrison","full_name":"Harrison, N.","first_name":"N."},{"first_name":"James","full_name":"Day, James","last_name":"Day"},{"last_name":"Liang","first_name":"Ruixing","full_name":"Liang, Ruixing"},{"first_name":"W. N.","full_name":"Hardy, W. N.","last_name":"Hardy"},{"first_name":"D. A.","full_name":"Bonn, D. A.","last_name":"Bonn"},{"full_name":"McCollam, A.","last_name":"McCollam","first_name":"A."},{"first_name":"S. R.","full_name":"Julian, S. R.","last_name":"Julian"},{"last_name":"Cooper","full_name":"Cooper, J. R.","first_name":"J. R."}],"date_created":"2019-11-19T13:22:06Z","citation":{"ista":"Yu JF, Ramshaw BJ, Kokanović I, Modic KA, Harrison N, Day J, Liang R, Hardy WN, Bonn DA, McCollam A, Julian SR, Cooper JR. 2015. Magnetization of underdoped YBa2Cu3Oy above the irreversibility field. Physical Review B. 92(18), 180509.","short":"J.F. Yu, B.J. Ramshaw, I. Kokanović, K.A. Modic, N. Harrison, J. Day, R. Liang, W.N. Hardy, D.A. Bonn, A. McCollam, S.R. Julian, J.R. Cooper, Physical Review B 92 (2015).","ama":"Yu JF, Ramshaw BJ, Kokanović I, et al. Magnetization of underdoped YBa2Cu3Oy above the irreversibility field. <i>Physical Review B</i>. 2015;92(18). doi:<a href=\"https://doi.org/10.1103/physrevb.92.180509\">10.1103/physrevb.92.180509</a>","chicago":"Yu, Jing Fei, B. J. Ramshaw, I. Kokanović, Kimberly A Modic, N. Harrison, James Day, Ruixing Liang, et al. “Magnetization of Underdoped YBa2Cu3Oy above the Irreversibility Field.” <i>Physical Review B</i>. APS, 2015. <a href=\"https://doi.org/10.1103/physrevb.92.180509\">https://doi.org/10.1103/physrevb.92.180509</a>.","apa":"Yu, J. F., Ramshaw, B. J., Kokanović, I., Modic, K. A., Harrison, N., Day, J., … Cooper, J. R. (2015). Magnetization of underdoped YBa2Cu3Oy above the irreversibility field. <i>Physical Review B</i>. APS. <a href=\"https://doi.org/10.1103/physrevb.92.180509\">https://doi.org/10.1103/physrevb.92.180509</a>","ieee":"J. F. Yu <i>et al.</i>, “Magnetization of underdoped YBa2Cu3Oy above the irreversibility field,” <i>Physical Review B</i>, vol. 92, no. 18. APS, 2015.","mla":"Yu, Jing Fei, et al. “Magnetization of Underdoped YBa2Cu3Oy above the Irreversibility Field.” <i>Physical Review B</i>, vol. 92, no. 18, 180509, APS, 2015, doi:<a href=\"https://doi.org/10.1103/physrevb.92.180509\">10.1103/physrevb.92.180509</a>."},"month":"11","volume":92,"article_processing_charge":"No","title":"Magnetization of underdoped YBa2Cu3Oy above the irreversibility field","date_published":"2015-11-23T00:00:00Z"},{"article_number":"184112","extern":"1","publication_status":"published","publication":"Physical Review B","issue":"18","abstract":[{"lang":"eng","text":"We report resonant ultrasound spectroscopy (RUS), dilatometry/magnetostriction, magnetotransport, magnetization, specific-heat, and 119Sn Mössbauer spectroscopy measurements on SnTe and Sn0.995Cr0.005Te. Hall measurements at T=77 K indicate that our Bridgman-grown single crystals have a p-type carrier concentration of 3.4×1019 cm−3 and that our Cr-doped crystals have an n-type concentration of 5.8×1022 cm−3. Although our SnTe crystals are diamagnetic over the temperature range 2≤T≤1100 K, the Cr-doped crystals are room-temperature ferromagnets with a Curie temperature of 294 K. For each sample type, three-terminal capacitive dilatometry measurements detect a subtle 0.5 μm distortion at Tc≈85 K. Whereas our RUS measurements on SnTe show elastic hardening near the structural transition, pointing to co-elastic behavior, similar measurements on Sn0.995Cr0.005Te show a pronounced softening, pointing to ferroelastic behavior. Effective Debye temperature, θD, values of SnTe obtained from 119Sn Mössbauer studies show a hardening of phonons in the range 60–115 K (θD=162 K) as compared with the 100–300 K range (θD=150 K). In addition, a precursor softening extending over approximately 100 K anticipates this collapse at the critical temperature and quantitative analysis over three decades of its reduced modulus finds ΔC44/C44=A|(T−T0)/T0|−κ with κ=0.50±0.02, a value indicating a three-dimensional softening of phonon branches at a temperature T0∼75 K, considerably below Tc. We suggest that the differences in these two types of elastic behaviors lie in the absence of elastic domain-wall motion in the one case and their nucleation in the other."}],"day":"18","oa_version":"Preprint","author":[{"last_name":"Salje","first_name":"E. K. H.","full_name":"Salje, E. K. H."},{"full_name":"Safarik, D. J.","first_name":"D. J.","last_name":"Safarik"},{"last_name":"Modic","full_name":"Modic, Kimberly A","id":"13C26AC0-EB69-11E9-87C6-5F3BE6697425","first_name":"Kimberly A","orcid":"0000-0001-9760-3147"},{"full_name":"Gubernatis, J. E.","last_name":"Gubernatis","first_name":"J. E."},{"full_name":"Cooley, J. C.","last_name":"Cooley","first_name":"J. C."},{"first_name":"R. D.","last_name":"Taylor","full_name":"Taylor, R. D."},{"full_name":"Mihaila, B.","first_name":"B.","last_name":"Mihaila"},{"full_name":"Saxena, A.","last_name":"Saxena","first_name":"A."},{"full_name":"Lookman, T.","last_name":"Lookman","first_name":"T."},{"last_name":"Smith","first_name":"J. L.","full_name":"Smith, J. L."},{"full_name":"Fisher, R. A.","first_name":"R. A.","last_name":"Fisher"},{"first_name":"M.","full_name":"Pasternak, M.","last_name":"Pasternak"},{"full_name":"Opeil, C. P.","last_name":"Opeil","first_name":"C. P."},{"full_name":"Siegrist, T.","last_name":"Siegrist","first_name":"T."},{"first_name":"P. B.","last_name":"Littlewood","full_name":"Littlewood, P. B."},{"full_name":"Lashley, J. C.","first_name":"J. C.","last_name":"Lashley"}],"external_id":{"arxiv":["1011.1445"]},"main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1011.1445"}],"title":"Tin telluride: A weakly co-elastic metal","doi":"10.1103/physrevb.82.184112","date_updated":"2021-01-12T08:11:44Z","status":"public","publisher":"APS","type":"journal_article","intvolume":"        82","article_type":"original","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","_id":"7078","year":"2010","language":[{"iso":"eng"}],"quality_controlled":"1","publication_identifier":{"issn":["1098-0121","1550-235X"]},"arxiv":1,"date_created":"2019-11-19T13:46:28Z","oa":1,"article_processing_charge":"No","month":"11","volume":82,"citation":{"ieee":"E. K. H. Salje <i>et al.</i>, “Tin telluride: A weakly co-elastic metal,” <i>Physical Review B</i>, vol. 82, no. 18. APS, 2010.","mla":"Salje, E. K. H., et al. “Tin Telluride: A Weakly Co-Elastic Metal.” <i>Physical Review B</i>, vol. 82, no. 18, 184112, APS, 2010, doi:<a href=\"https://doi.org/10.1103/physrevb.82.184112\">10.1103/physrevb.82.184112</a>.","apa":"Salje, E. K. H., Safarik, D. J., Modic, K. A., Gubernatis, J. E., Cooley, J. C., Taylor, R. D., … Lashley, J. C. (2010). Tin telluride: A weakly co-elastic metal. <i>Physical Review B</i>. APS. <a href=\"https://doi.org/10.1103/physrevb.82.184112\">https://doi.org/10.1103/physrevb.82.184112</a>","chicago":"Salje, E. K. H., D. J. Safarik, Kimberly A Modic, J. E. Gubernatis, J. C. Cooley, R. D. Taylor, B. Mihaila, et al. “Tin Telluride: A Weakly Co-Elastic Metal.” <i>Physical Review B</i>. APS, 2010. <a href=\"https://doi.org/10.1103/physrevb.82.184112\">https://doi.org/10.1103/physrevb.82.184112</a>.","ama":"Salje EKH, Safarik DJ, Modic KA, et al. Tin telluride: A weakly co-elastic metal. <i>Physical Review B</i>. 2010;82(18). doi:<a href=\"https://doi.org/10.1103/physrevb.82.184112\">10.1103/physrevb.82.184112</a>","short":"E.K.H. Salje, D.J. Safarik, K.A. Modic, J.E. Gubernatis, J.C. Cooley, R.D. Taylor, B. Mihaila, A. Saxena, T. Lookman, J.L. Smith, R.A. Fisher, M. Pasternak, C.P. Opeil, T. Siegrist, P.B. Littlewood, J.C. Lashley, Physical Review B 82 (2010).","ista":"Salje EKH, Safarik DJ, Modic KA, Gubernatis JE, Cooley JC, Taylor RD, Mihaila B, Saxena A, Lookman T, Smith JL, Fisher RA, Pasternak M, Opeil CP, Siegrist T, Littlewood PB, Lashley JC. 2010. Tin telluride: A weakly co-elastic metal. Physical Review B. 82(18), 184112."},"date_published":"2010-11-18T00:00:00Z"}]