Severe plastic deformation is known for its potential to obtain non-equilibrium solid solutions of metals, which under normal conditions are immiscible or have limited solubility. An important role in this process is played by the increased density of defects, which facilitates diffusion in the material during deformation. In particular, recently it was found that the application of ultra-severe plastic deformation can lead to dissolution of Zr atoms in aluminum, while the equilibrium phase diagram of these two metals shows that solid solution of Zr in Al is impossible. In the present work, we use molecular dynamics simulation to calculate the dependence of the lattice parameter of the Al-Zr solid solution as a function of the Zr concentration in the range from one to four atomic percent. It is found that our simulation results are in a reasonably good agreement with the experimental measurements of lattice parameter of Al-Zr solid solution obtained by ultra-severe plastic deformation.
REFERENCES
1.
R.M.
Aikin
, “The mechanical properties of in-situ composites
”, JOM
49
, 35
–39
(1997
).2.
A.
Bachmaier
and R.
Pippan
, “High-Pressure Torsion Deformation Induced Phase Transformations and Formations: New Material Combinations and Advanced Properties
”, Materials Transactions
60
, 1256
–1269
(2019
).3.
K.
Edalati
, “Review on Recent Advancements in Severe Plastic Deformation of Oxides by High-Pressure Torsion (HPT
)”, Advanced Engineering Materials
21
, 1800272
(2019
).4.
J.
Gubicza
, P.T.
Hung
, M.
Kawasaki
,J.-K.
Han
, Y.
Zhao
,Y.
Xue
, and J.L.
Lábár
, “Influence of severe plastic deformation on the microstructure and hardness of a CoCrFeNi high-entropy alloy: A comparison with CoCrFeNiMn
”, Materials Characterization
154
, 304
–314
(2019
).5.
M.
Kawasaki
, R.B.
Figueiredo
, and A.P.
Zhilyaev
, “Special Issue Celebrating Professor Terence G. Langdon's 80th Birthday
”, Advanced Engineering Materials
22
, 1901386
(2020
).6.
G.
Korznikova
, R.
Kabirov
, K.
Nazarov
, R.
Khisamov
, R.
Shayakhmetov
, E.
Korznikova
, G.
Khalikova
, and R.
Mulyukov
, “Influence of Constrained High-Pressure Torsion on Microstructure and Mechanical Properties of an Aluminum-Based Metal Matrix Composite
”, JOM
8
, 72
–76
(2020
).7.
G.
Korznikova
, E.
Korznikova
, K.
Nazarov
, R.
Shayakhmetov
, R.
Khisamov
, G.
Khalikova
, and R.
Mulyukov
, “Structure and Mechanical Behavior of Al–Nb Hybrids Obtained by High-Pressure-Torsion-Induced Diffusion Bonding and Subsequent Annealing
”, Advanced Engineering Materials
23
, 2000757
–2000764
(2021
).8.
G.F.
Korznikova
, K.S.
Nazarov
, R.Kh.
Khisamov
, S.N.
Sergeev
, R.U.
Shayachmetov
, G.R.
Khalikova
, J.A.
Baimova
, A.M.
Glezer
, and R.R.
Mulyukov
, “Intermetallic growth kinetics and microstructure evolution in Al- Cu-Al metal-matrix composite processed by high pressure torsion
”, Materials Letters
253
, 412
–415
(2019
).9.
G.
Korznikova
, T.
Czeppe
, G.
Khalikova
, D.
Gunderov
, E.
Korznikova
, L.
Litynska-Dobrzynska
, and M.
Szlezynger
, “Microstructure and mechanical properties of Cu-graphene composites produced by two high pressure torsion procedures
”, Materials Characterization
161,
110122
–110139
(2020
).10.
K.
Nová
, P.
Novák
, F.
Průša
, J.
Kopeček
, and J.
Čech
, “Synthesis of Intermetallics in Fe-Al-Si System by Mechanical Alloying
”, Metals
9
, 20
–25
(2018
).11.
T.
Dursun
and C.
Soutis
, “Recent developments in advanced aircraft aluminium alloys
”, Materials and Design
56
, 862
–871
(2014
).12.
M.
Kawasaki
, S.H.
Jung
, J.-M.
Park
, J.
Lee
, J.
Jang
, and J.-K.
Han
, “Mechanical Bonding of Aluminum Hybrid Alloy Systems through High-Pressure Torsion
”, Advanced Engineering Materials
, 1,
22
(2019
).13.
A.K.
Dahle
and L.
Arnberg
, “Development of strength in solidifying aluminium alloys
”, Acta Materialia
45
, 547
–559
(1997
).14.
A.
Shyam
, S.
Roy
, D.
Shin
, J.D.
Poplawsky
, L.F.
Allard
, Y.
Yamamoto
, J.R.
Morris
, B.
Mazumder
, J.C.
Idrobo
, A.
Rodriguez
, T.R.
Watkins
, and J.A.
Haynes
, “Elevated temperature microstructural stability in cast AlCuMnZr alloys through solute segregation
”, Materials Science and Engineering: A
765
, 138279
–138284
(2019
).15.
H.
Hasegawa
, S.
Komura
, A.
Utsunomiya
, Z.
Horita
, M.
Furukawa
, M.
Nemoto
, and T.G.
Langdon
, “Thermal stability of ultrafine-grained aluminum in the presence of Mg and Zr additions
”, Materials Science and Engineering A
265
, 188
–196
(1999
).16.
H.
Okamoto
, “The Al-Zr (aluminum-zirconium) system
”, J. Phase Equilib.
23
, 455
–456
(2002
).17.
A.
Mohammadi
, N.A.
Enikeev
, M.Yu.
Murashkin
, M.
Arita
, and K.
Edalati
, “Developing age-hardenable Al- Zr alloy by ultra-severe plastic deformation: Significance of supersaturation, segregation and precipitation on hardening and electrical conductivity
”, Acta Materialia
203
, 116503
–116512
(2021
).18.
A.S.
Bhui
, G.
Singh
, S.S.
Sidhu
, and P.S.
Bains
, “Experimental investigation of optimal ED machining parameters for Ti-6Al-4V biomaterial
”, Facta Universitatis, Series: Mechanical Engineering
16
, 337
–342
(2018
).19.
L.K.
Rysaeva
, D.V.
Bachurin
, R.T.
Murzaev
, D.U.
Abdullina
, E.A.
Korznikova
, R.R.
Mulyukov
, and S.V.
Dmitriev
, “Evolution of the carbon nanotube bundle structure under biaxial and shear strains
”, Facta Universitatis, Series: Mechanical Engineering
18
, 525
–536
(2020
).20.
G.
Bonny
, A.
Bakaev
, D.
Terentyev
, E.
Zhurkin
, and M.
Posselt
, “Atomistic study of the hardening of ferritic iron by Ni-Cr decorated dislocation loops
”, Journal of Nuclear Materials
498
, 430
–437
(2018
).21.
L.
Bai
, N.
Srikanth
, E.A.
Korznikova
, J.A.
Baimova
, S.V.
Dmitriev
, and K.
Zhou
, “Wear and friction between smooth or rough diamond-like carbon films and diamond tips
”, Wear
372–373
, 12
–20
(2017
).22.
R.I.
Babicheva
, I.
Evazzade
, E.A.
Korznikova
, I.A.
Shepelev
, K.
Zhou
, and S.V.
Dmitriev
, “Low-energy channel for mass transfer in Pt crystal initiated by molecule impact
”, Computational Materials Science
163
, 248
–255
(2019
).23.
I.A.
Shepelev
, A.P.
Chetverikov
, S.V.
Dmitriev
, and E.A.
Korznikova
, “Shock waves in graphene and boron nitride
”, Computational Materials Science
177
109549
–109557
(2020
).24.
E.
Barani
, E.A.
Korznikova
, A.P.
Chetverikov
, K.
Zhou
, and S.V.
Dmitriev
, “Gap discrete breathers in strained boron nitride
”, Physics Letters, Section A: General, Atomic and Solid State Physics
381
, 3553
–3557
(2017
).25.
E.
Barani
, I.P.
Lobzenko
, E.A.
Korznikova
, E.G.
Soboleva
, S.V.
Dmitriev
, K.
Zhou
, and A.M.
Marjaneh
, “Transverse discrete breathers in unstrained graphene
”, European Physical Journal B
90
3
–9
(2017
).26.
I.
Evazzade
, I.P.
Lobzenko
, E.A.
Korznikova
, I.A.
Ovid'ko
, M.R.
Roknabadi
, and S.V.
Dmitriev
, “Energy transfer in strained graphene assisted by discrete breathers excited by external ac driving
”, Physical Review B
95
, 035423
(2017
).27.
E.A.
Korznikova
, D.V.
Bachurin
, S.Y.
Fomin
, A.P.
Chetverikov
, and S.V.
Dmitriev
, “Instability of vibrational modes in hexagonal lattice
”, European Physical Journal B
90
, 23
(2017
).28.
E.A.
Korznikova
, V.A.
Kuzkin
, A.M.
Krivtsov
, D.
Xiong
, V.A.
Gani
, A.A.
Kudreyko
, and S.V.
Dmitriev
, “Equilibration of sinusoidal modulation of temperature in linear and nonlinear chains
”, Physical Review E
102
1
–6
(2020
).29.
A. Moradi
Marjaneh
, D.
Saadatmand
, I.
Evazzade
, R.I.
Babicheva
, E.G.
Soboleva
, N.
Srikanth
, K.
Zhou
, E.A.
Korznikova
, and S.V.
Dmitriev
, “Mass transfer in the Frenkel-Kontorova chain initiated by molecule impact
”, Physical Review E
98
(2018
).30.
I.A.
Shepelev
, S.V.
Dmitriev
, A.A.
Kudreyko
, M.G.
Velarde
, and E.A.
Korznikova
, “Supersonic voidions in 2D Morse lattice
”, Chaos, Solitons and Fractals
140
(2020
).31.
M.
Singh
, A.Y.
Morkina
, E.A.
Korznikova
, V.I.
Dubinko
, D.A.
Terentiev
, D.
Xiong
, O.B.
Naimark
, V.A.
Gani
, and S.V.
Dmitriev
, “Effect of Discrete Breathers on the Specific Heat of a Nonlinear Chain
”, Journal of Nonlinear Science
31
126
–132
(2021
).32.
D.U.
Abdullina
, A.A.
Kudreyko
, E.A.
Korznikova
, I.A.
Shepelev
, and S.V.
Dmitriev
, “Phase transitions in carbon nanotube bundles under lateral compression
”, Saratov Fall Meeting 2019: Computations and Data Analysis: from Nanoscale Tools to Brain
, 11459
, 1145911
(2020
).33.
H.-Y.
Chen
and N.-T.
Tsou
, “The Analysis of Thermal-Induced Phase Transformation and Microstructural Evolution in Ni-Ti Based Shape Memory AlloysBy Molecular Dynamics
”, Computer Modeling in Engineering & Sciences
120
, 319
–332
(2019
).34.
I.
Evazzade
, I.
Lobzenko
, O.
Golubev
, and E.
Korznikova
, “Two-phase tension of a carbon nanotube
”, Journal of Micromechanics and Molecular Physics
5
(2020
). (doi:)35.
I.
Evazzade
, I.P.
Lobzenko
, Saadatmand
D
, E.A.
Korznikova
, Zhou
K
, Liu
B
, and S.V.
Dmitriev
. “Graphene nanoribbon as an elastic damper
”, Nanotechnology
29
(2018
).36.
A.V.
Savin
, E.A.
Korznikova
, and S.V.
Dmitriev
, “Dynamics of surface graphene ripplocations on a flat graphite substrate
”, Physical Review B
99
(2019
).37.
A.V.
Savin
, E.A.
Korznikova
, S.V.
Dmitriev
, and E.G.
Soboleva
, “Graphene nanoribbon winding around carbon nanotube
”, Computational Materials Science
135
, 99
–108
(2017
).38.
A.V.
Savin
, E.A.
Korznikova
, and S.V.
Dmitriev
, “Improving bending rigidity of graphene nanoribbons by twisting
”, Mechanics of Materials
137
(2019
).39.
A.V.
Savin
, E.A.
Korznikova
, A.M.
Krivtsov
, and S.V.
Dmitriev
, “Longitudinal stiffness and thermal conductivity of twisted carbon nanoribbons
”, European Journal of Mechanics, A/Solids
80
103920
–103928
(2020
).40.
W.-J.
Lee
, Y.-C.
Lo
, A.
Yang
, K.
Chen
, and N.-Y.
Chen
, “Thickness Effect of Nanocrystalline Layer on the Deformation Mechanism of Amorphous/Crystalline Multilayered Structure
”, Computer Modeling in Engineering & Sciences
120
, 293
–304
(2019
).43.
D.J.
Evans
and B.L.
Holian
, “The Nose–Hoover thermostat
”, J. Chem. Phys.
83
, 4069
–4074
(1985
).44.
E.
Clouet
, J.
Sanchez
, and C.
Sigli
, “First Principles Study of the Solubility of Zr in Al
”, Physical Review B
65
094105
–094118
(2002
).45.
E.A.
Korznikova
, S.Yu.
Mironov
, A.V.
Korznikov
, A.P.
Zhilyaev
, and T.G.
Langdon
, “Microstructural evolution and electro-resistivity in HPT nickel
”, Materials Science and Engineering: A
556
, 437
–445
(2012
).
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