Crystallographic Structure Analysis of a Ti-Ta Thin Film Materials Library Fabricated by Combinatorial Magnetron Sputtering

ACS Comb Sci. 2018 Mar 12;20(3):137-150. doi: 10.1021/acscombsci.7b00135. Epub 2018 Feb 15.

Abstract

Ti-Ta thin films exhibit properties that are of interest for applications as microactuators and as biomedical implants. A Ti-Ta thin film materials library was deposited at T = 25 °C by magnetron sputtering employing the combinatorial approach, which led to a compositional range of Ti87Ta13 to Ti14Ta86. Subsequent high-throughput characterization methods permitted a quick and comprehensive study of the crystallographic, microstructural, and morphological properties, which strongly depend on the chemical composition. SEM investigation revealed a columnar morphology having pyramidal, sharp tips with coarser columns in the Ti-rich and finer columns in the Ta-rich region. By grazing incidence X-ray diffraction four phases were identified, from Ta-lean to Ta-rich: ω phase, α″ martensite, β phase, and a tetragonal Ta-rich phase (Ta(tetr)). The crystal structure and microstructure were analyzed by Rietveld refinement and clear trends could be determined as a function of Ta-content. The lattice correspondences between β as the parent phase and α″ and ω as derivative phases were expressed in matrix form. The β ⇌ α″ phase transition shows a discontinuity at the composition where the martensitic transformation temperatures fall below room temperature (between 34 and 38 at. % Ta) rendering it first order and confirming its martensitic nature. A short study of the α″ martensite employing the Landau theory is included for a mathematical quantification of the spontaneous lattice strain at room temperature (ϵ̂max = 22.4(6) % for pure Ti). Martensitic properties of Ti-Ta are beneficial for the development of high-temperature actuators with actuation response at transformation temperatures higher than 100 °C.

Keywords: GIXRD; SEM; Ti−Ta; combinatorial magnetron sputtering; heart valve metal; high-temperature shape memory alloy; high-throughput analysis; martensitic transformation; materials library; microactuators; tetragonal β-Ta; α″ martensite; β phase; ω phase.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alloys / chemistry*
  • Biocompatible Materials / chemistry
  • Combinatorial Chemistry Techniques / methods*
  • Crystallography / methods
  • Dental Alloys / chemistry
  • Materials Testing / methods
  • Phase Transition
  • Small Molecule Libraries / chemistry*
  • Structure-Activity Relationship
  • Tantalum / chemistry*
  • Temperature
  • Titanium / chemistry*
  • X-Ray Diffraction / methods

Substances

  • Alloys
  • Biocompatible Materials
  • Dental Alloys
  • Small Molecule Libraries
  • Martensite
  • Tantalum
  • Titanium