Mechanical properties, glass transition temperature, and bond enthalpy trends of high metalloid Fe-based bulk metallic glasses

Mechanical properties and glass transition temperatures (Tg) of Fe–Cr–Mo–P–C–B bulk metallic glasses containing up to 27at.% metalloids have been studied. The shear modulus (G) is found to decrease with increasing metalloid content and a maximum plastic strain of ∼3% is obtained, despite the increase in the number of strong metal-metalloid bonds. Also, Tg increases with the decrease in G, in contrast to usual behavior. By employing first-principles calculations, the results are discussed in light of atomic bonding and connectivity in the amorphous network. The findings are relevant to understanding ductility and glass transition of metallic glasses.

[1]  P. Ganesh,et al.  First-principles simulation of supercooled liquid alloys , 2008, Journal of physics. Condensed matter : an Institute of Physics journal.

[2]  Michael Widom,et al.  Ab initio simulations of geometrical frustration in supercooled liquid Fe and Fe-based metallic glass , 2008 .

[3]  S. Poon,et al.  Ductility improvement of amorphous steels: Roles of shear modulus and electronic structure , 2008 .

[4]  William L. Johnson,et al.  Rheology and Ultrasonic Properties of Metallic Glass-Forming Liquids: A Potential Energy Landscape Perspective , 2007 .

[5]  Takeshi Egami,et al.  Glass transition in metallic glasses: A microscopic model of topological fluctuations in the bonding network , 2007 .

[6]  W. Johnson,et al.  Thermal and elastic properties of Cu–Zr–Be bulk metallic glass forming alloys , 2007 .

[7]  A. Castellero,et al.  Critical Poisson ratio for room-temperature embrittlement of amorphous Mg85Cu5Y10 , 2007 .

[8]  Gary J. Shiflet,et al.  Mechanical properties of iron-based bulk metallic glasses , 2007 .

[9]  Jeppe C. Dyre,et al.  Colloquium : The glass transition and elastic models of glass-forming liquids , 2006 .

[10]  S. Poon,et al.  Critical Poisson’s ratio for plasticity in Fe–Mo–C–B–Ln bulk amorphous steel , 2006 .

[11]  Weihua Wang,et al.  Correlations between elastic moduli and properties in bulk metallic glasses , 2006 .

[12]  J. Bai,et al.  Atomic packing and short-to-medium-range order in metallic glasses , 2006, Nature.

[13]  Wence Wang.  Elastic moduli and behaviors of metallic glasses , 2005 .

[14]  Weihua Wang,et al.  Intrinsic plasticity or brittleness of metallic glasses , 2005 .

[15]  Jan Schroers,et al.  Ductile bulk metallic glass. , 2004, Physical review letters.

[16]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[17]  O. K. Andersen,et al.  Calculated electronic structure of the sandwichd1 metals LaI2 and CeI2: Application of new LMTO techniques , 1995 .

[18]  K. J. Rao,et al.  A molecular dynamics study of the mixed alkali effect in silicate glasses , 1995 .

[19]  Richard Dronskowski,et al.  Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations , 1993 .