Journal
PHYSICAL REVIEW B
Volume 81, Issue 24, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.245433
Keywords
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Funding
- NSFC [50771079, 50720145101, 50831004]
- 973 Program of China [2010CB631003]
- 111 project [B06025]
- NSF [CMMI-0728069]
- MRSEC [DMR-0520020]
- ONR [N00014-05-1-0504]
- AFOSR [FA9550-08-1-0325]
- U.S. DOE at LANL [DE-AC52-06NA25396]
- US-DOE, Basic Energy Sciences, Division of Materials Science and Engineering [DE-FG02-09ER46056]
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Like martensitic transformations (MTs), inverse martensitic transformations (IMTs) are shear-dominant diffusionless transformations, but are driven by reduction in interfacial energies rather than bulk free energies, and exhibit distinctive behavior such as instantaneous initiation (like spinodal decomposition) and self-limiting lengthscale. Bulk Zr metal is known to undergo normal MT from the high-temperature bcc phase to the low-temperature hcp phase. Using molecular dynamics simulations we demonstrate that, unlike in the bulk, an IMT to the bcc structure can occur in <(1) over bar 100 >-oriented hcp Zr nanowires at low temperatures, which is driven by the reduction in the nanowire surface energy. The bcc domains subsequently become distorted and transform into a new <(1) over bar(1) over bar 20 >-oriented hcp domain, leading to reorientation of the nanowire. This behavior has implications for the study of structural transformations at the nanoscale and surface patterning.
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