scholarly journals Influence of stoichiometry on indentation-induced plasticity in CuZr glasses

2021 ◽  
Vol 127 (9) ◽  
Author(s):  
Karina E. Avila ◽  
Stefan Küchemann ◽  
Reinhardt E. Pinzón ◽  
Herbert M. Urbassek

AbstractPlasticity in metallic glasses depends on their stoichiometry. We explore this dependence by molecular dynamics simulations for the case of CuZr alloys using the compositions Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 , Cu$$_{50}$$ 50 Zr$$_{50}$$ 50 , and Cu$$_{35.5}$$ 35.5 Zr$$_{64.5}$$ 64.5 . Plasticity is induced by nanoindentation and orthogonal cutting. Only the Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 sample shows the formation of localized strain in the form of shear bands, while plasticity is more homogeneous for the other samples. This feature concurs with the high fraction of full icosahedral short-range order found for Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 . In all samples, the atomic density is reduced in the plastic zone; this reduction is accompanied by a decrease of the average atom coordination, with the possible exception of Cu$$_{35.5}$$ 35.5 Zr$$_{64.5}$$ 64.5 , where coordination fluctuations are high. The strongest density reduction occurs in Cu$$_{64.5}$$ 64.5 Zr$$_{35.5}$$ 35.5 , where it is connected with the partial destruction of full icosahedral short-range order. The difference in plasticity mechanism influences the shape of the pileup and of the chip generated by nanoindentation and cutting, respectively.

2010 ◽  
Vol 25 (9) ◽  
pp. 1679-1688 ◽  
Author(s):  
S.Z. Zhao ◽  
J.H. Li ◽  
B.X. Liu

An n-body potential is first constructed for the Zr–Al system and proven to be realistic by reproducing a number of important properties of the system. Applying the constructed potential, molecular dynamics simulations, chemical short-range order (CSRO) calculation, and Honeycutt and Anderson (HA) pair analysis are carried out to study the Zr–Al metallic glasses. It is found that for the binary Zr–Al system, metallic glasses are energetically favored to be formed within composition range of 35–75 at.% Al. The calculation shows that the CSRO parameter is negative and could be up to −0.17, remarkably indicating that there exists a chemical short-range order in the Zr–Al metallic glasses. The HA pair analysis also reveals that there are diverse short-range packing units in the Zr–Al metallic glasses, in which icosahedra and icosahedra/face-centered cubic (fcc)-defect structures are predominant.


2016 ◽  
Vol 28 (8) ◽  
pp. 085102 ◽  
Author(s):  
Yuxiang Huang ◽  
Li Huang ◽  
C Z Wang ◽  
M J Kramer ◽  
K M Ho

1996 ◽  
Vol 51 (3) ◽  
pp. 179-186 ◽  
Author(s):  
Uwe Hoppe ◽  
Günter Walter ◽  
Dörte Stachel ◽  
Alex C. Hannon

The short-range order of KPO3 glass has been studied by diffraction methods in order to make evident the different behaviour of the P-O bonds within the PO4 tetrahedron. The oxygen sites are devided into bridging and terminal (non-bridging) oxygen sites, corresponding to two P-O bond lengths, the difference of which amounts to 14.5 pm. Previous conclusions about the changes of the P-O bond lengths under the influence of modifier cations of different electric field strength are corroborated. The K-O environments reveal two apparently different distances rKO with equal contributions to the total K-O coordination number of about 6.7. To explain this phenomenon, the K+ cations are suggested to be located in non-spherical cavities


2000 ◽  
Vol 644 ◽  
Author(s):  
Junji Saida ◽  
Mitsuhide Matsushita ◽  
Akihisa Inoue

AbstractIt is found that a nano icosahedral phase with diameters below 50 nm is formed as a primary phase in the Zr70Ni10M20, Zr70TM10Pd20, Zr70Au10Pd20 and Zr75Pt10Pd15 ternary and Zr70Pd30 binary glassy alloys. The nanoscale icosahedral phase in the diameter range below 10 nm was also found to be formed directly in the melt-spun Zr80Pt20 binary alloy. These icosahedral phases transform to the crystalline phase(s) at the higher annealing temperature. The nucleation kinetics for the precipitation of the icosahedral phase from supercooled liquid were examined in the Zr70Pd30 and Zr70Ni10Pd20 glassy alloys. It was clarified that the transformation of both alloys proceeds in the diffusion-controlled growth mode with increasing nucleation rate. The formation of the nanometer-scale icosahedral phase is due to the transformation mode. The activation energy of nucleation is evaluated to be 267 kJmol−1 for the binary alloy and 311 kJmol−1 for the ternary alloy. The difference between the two alloy systems seems to originate from the difference in the number of atoms for rearrgements in the nucleation mode. The short-range ordering is observed in the as-quenched Zr70Pd30 glassy alloy, which is indicative of the icosahedral structure. The formation of the nano-scale icosahedral phase in the Zr-based binary and ternary alloys is due to the existence of an icosahedral short-range order in the glassy or liquid state. It is suggested that the icosahedral short-range order is stabilized by the restraint of the long-range atomic rearrangements that lead to the transition to a periodic structure by the strong chemical affinities of Pd or Pt with Zr.


2021 ◽  
Vol 5 (2) ◽  
pp. 1-6
Author(s):  
Abodunrin OW

The thermodynamic models based on cluster of two and four atoms were considered to obtain the thermodynamic properties of liquid binary alloys. The four liquid alloys are candidates of homo-coordination / self-coordination. The values of chemical short range order, Concentration fluctuation and excess stability functions and the differences in models computed for Cu-Pb, Li-Mg, Cd-Ga and Bi-Cd binary liquid alloys are presented.


1998 ◽  
Vol 76 (11) ◽  
pp. 1674-1687 ◽  
Author(s):  
P Bernazzani ◽  
V T Bich ◽  
H Phuong-Nguyen ◽  
A Haine ◽  
C Chapados ◽  
...  

The phase content of a low-density polyethylene was studied by analysis of the CH2 rocking vibrations in non-oriented films prepared from the press (P-films) or from solution (S-films). Spectral simulations of the transmission spectra give the mass fractions of the orthorhombic phase αortho and of two noncrystalline phases (monoclinic-like and amorphous). The values of αortho (IR) are compared to αortho (i) where (i) stands for the X-ray diffraction, density, and DSC techniques. New results are obtained concerning the orthorhombic order and the change of phase content with aging. A two-phase analysis is justified for non-aged films containing a small amount of the monoclinic-like phase. The values of αortho (IR) are larger than αortho (i), the difference ranging between 0.12 and 0.43. The difference is a measure of the short-range order. αortho (IR) can reach 0.73 for the S-films. The stability of the short-range order phase is investigated. The sample is also analyzed using the trace of slow calorimetry. The difference between αortho by DSC and by slow calorimetry is a measure of strainable order. During aging, the variation in the phase content is large for the noncrystalline phases (in content and frequency) and small for the orthorhombic. The increase of the monoclinic-like phase during aging suggests that it is a precursor of the more stable orthorhombic organization. The quantification of two noncrystalline phases on fresh and aged films clarifies some ambiguity found in the literature about the monoclinic-like phase and the localization of bands in the rocking region for sample characterization. Analysis of other regions of the spectrum is needed to confirm the present results. Key words: low-density PE, phase content, FTIR, network phase, slow calorimetry.


2007 ◽  
Vol 546-549 ◽  
pp. 819-824
Author(s):  
Ying Jun Gao ◽  
Qi Feng Mo ◽  
Yu Ling Wang ◽  
Iina Zhang ◽  
Chuang Gao Huang

The atomic bonding of the segregated cell of Al-Li alloy in earlier ageing condition was calculated according to the empirical electron theory (EET) in solid. The results showed that the strongest covalent bond was the Al-Al bond in the segregated cell without vacancy, while the strongest covalent bond was the Al-Li bond in the cell containing vacancy. Since the difference of electronagativity between the Al and Li atoms was obvious, it was inclined to form the Al-Li segregated cell of short range order structure in the condition of vacancy joining. The short range order structure with vacancy was probably the embryo or precursor structure of the metastable phase ' δ (Al3Li). As the ' δ (Al3Li) was coherence with matrix, the bond net strength was enhanced by the precipitation of ' δ (Al3Li) and hence the alloy was strengthened.


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