Observation of a Martensitic Structural Distortion in V, Nb, and Ta

Bollinger, R. K.; White, B. D.; Neumeier, J. J.; Sandim, Hugo Ricardo Zschommler; Suzuki, Yuya; Santos, C. A. M. dos; Avci, R.; Migliori, A.; Betts, J. B.

doi:10.1103/physrevlett.107.075503

Cited by 20 publications

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Section: Introductionmentioning

confidence: 99%

“…[1][2][3][4][5] Short-range order and superconductivity of V-Nb, V-Ta, and Nb-Ta alloys have been examined for understanding the influence of alloying on the superconducting transition temperatures. 2 Recently, V, Nb, and Ta have been found to undergo a martensitic-like structural distortion [3][4][5] in which they transform from the high-temperature bcc structure to either a rhombohedral structure or to a tetragonal structure. Apart from this, vanadium-based alloys are known to have the desired combination of physicomechanical properties, compatibility with nuclear fuel, and high resistance to corrosion 6,7 making them potential structural materials for fast-neutron nuclear power plants which can be operated at temperatures exceeding 1000 K for increasing the thermodynamic efficiency of electric power production.…”

Section: Introductionmentioning

confidence: 99%

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First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys

et al. 2012

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In this paper, we report the calculated phase diagrams of V-Nb, V-Ta, and Nb-Ta alloys computed by combining the total energies of 40-50 configurations for each system (obtained using density functional theory) with the cluster expansion and Monte Carlo techniques. For V-Nb alloys, the phase diagram computed with conventional cluster expansion shows a miscibility gap with consolute temperature T c = 1250 K. Including the constituent strain to the cluster expansion Hamiltonian does not alter the consolute temperature significantly, although it appears to influence the solubility of V-and Nb-rich alloys. The phonon contribution to the free energy lowers T c to 950 K (about 25%). Our calculations thus predicts an appreciable miscibility gap for V-Nb alloys. For bcc V-Ta alloy, this calculation predicts a miscibility gap with T c = 1100 K. For this alloy, both the constituent strain and phonon contributions are found to be significant. The constituent strain increases the miscibility gap while the phonon entropy counteracts the effect of the constituent strain. In V-Ta alloys, an ordering transition occurs at 1583 K from bcc solid solution phase to the V 2 Ta Laves phase due to the dominant chemical interaction associated with the relatively large electronegativity difference. Since the current cluster expansion ignores the V 2 Ta phase, the associated chemical interaction appears to manifest in making the solid solution phase remain stable down to 1100 K. For the size-matched Nb-Ta alloys, our calculation predicts complete miscibility in agreement with experiment.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys

et al. 2012

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“…Anisotropy could develop below T N after the subtle tetragonal distortion of the cubic crystal structure of α-Mn occurs. Such thermal expansion anisotropy was recently reported for temperatures below Martensitic structural distortions in single crystals of Nb and Ta [33]. However, it might be challenging to resolve any thermal-expansion anisotropy in α-Mn if it were masked by the effects of twinning or the formation of structural domains.…”

Section: Introductionmentioning

confidence: 94%

Thermal expansion and thermodynamic characterization of antiferromagnetic phase transition in elementalα-Mn

White

Bollinger

Neumeier

2014

Phys. Status Solidi B

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High‐resolution measurements of thermal expansion and specific heat have been performed on α‐Mn. An analysis of these thermodynamic properties, with particular emphasis on their behavior in the temperature region near the Néel temperature, TN = 101.4(2) K, suggests that the antiferromagnetic phase transition is continuous (second order within the Ehrenfest classification scheme). The thermal expansion for T≲TN is negative, which is probably related to the volume dependence of the magnetic exchange interactions. This is manifested in the negative pressure derivative normaldTN/normaldP and may also be related to the anomalously low reported values of the bulk modulus for α‐Mn. Large, negative values of the bulk Grüneisen function, γG, for T< 75 K are comparable to those of antiferromagnetic Cr. In each case, the magnetic contribution to γG dominates for T≤TN.

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“…the stability of the cubic phase was evaluated and found to be consistently stable, regardless of the degree of disorder) and an experimental statement. While it was speculated that the martensitic transformation does occur in bcc Nb by Bollinger et al [195], a subsequent evaluation of the temperature dependent lattice parameters by Francoual et al [196] showed that this prediction is not correct.…”

Section: Introductionmentioning

confidence: 99%

An experimental and computational study of srain sensitivity in superconducting Nb3Sn

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This work is the result of efforts by many people, both in a professional and a personal sense. During my time in Berkeley I had the opportunity to work with friendly and supportive people who were pushing back scientific boundaries, regarding the limits of superconducting high field technology. It is an odd but good experience to read papers from various authors detailing one scientific breakthrough or another, and then to meet them in person. Being a multi-cultural hub, Berkeley also allowed me to meet and become friends with people from all corners of this planet.Along the way, people have been instrumental in making this research happen. At LBNL, Jonathan Slack, Reuben Mendelsberg, and Andre Anders allowed me to use their lab for a rather extended period of time thus allowing for the fabrication of thin films, and have helped in various other ways along the years. The people at Ohio State University have helped by repeatedly performing heat capacity measurements on Nb 3 Sn bulk samples which were kindly supplied by Wilfried Goldacker of the Karlsruhe Institute of Technology. In particular I would like to thank Mike Susner of the Ohio State University, who came to the lab in the weekends just to make sure my samples would get measured. John Bonevich of the National Institute of Science and Technology was kind enough to perform characterization work on some of the Nb-Sn thin films we made, which included the STEM image on the cover. A lot of the experimental work was made possible with software and hardware designed at the University of Twente (such as VI by Bennie ten Haken), and I have gotten useful recommendations and assistance along the way, such as the advice on thin film fabrication from Frank Roesthuis. Professors Marcel ter Brake, Herman ten Kate, David Larbalestier, and Frances Hellman were kind enough to write letters of recommendation which contributed to getting the CSC student fellowship award. Vladimir Kresin of LBNL was kind enough to answer various questions related to the microscopic properties of Nb 3 Sn and comment on the description of microscopic theory in this thesis.Shane Cybart and Stephen Wu have assisted Edwin Dollekamp and myself in attempting to do some very fancy experiments. Edwin, from the University of Twente, took on a complicated research topic and I was impressed with how far he managed to get in that work, and Shane and Stephen invested time in the evenings and weekends to make it happen. Professor Orlandos previous investigations of Nb 3 Sn were an inspiration for some of the work described in this thesis, and he was kind enough to answer questions by email and over the phone. Derek Stewart of the Cornell NanoScale Science and Technology Facility helped me to get familiar with density functional theory calculations and computing clusters and made the suggestion of using Quantum Espresso ab-initio software. Robert Ryne and Steve Gourlay of LBNL helped me getting access to sizeable supercomputing resources at NERSC which were needed for this research.My friends and family st...

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Observation of a Martensitic Structural Distortion in V, Nb, and Ta

Cited by 20 publications

References 24 publications

First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys

First-principles calculation of phase equilibrium of V-Nb, V-Ta, and Nb-Ta alloys

Thermal expansion and thermodynamic characterization of antiferromagnetic phase transition in elementalα-Mn

An experimental and computational study of srain sensitivity in superconducting Nb3Sn

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