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Atomic theory of viscoelastic response and memory effects in metallic glasses
Cui, Bingyu; Yang, Jie; Qiao, Jichao; Jiang MQ(蒋敏强); Dai LH(戴兰宏); Wang YJ(王云江); Zaccone, Alessio; Wang, YJ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.; Wang, YJ (reprint author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China.
Source PublicationPHYSICAL REVIEW B
2017-09-18
Volume96Issue:9
ISSN2469-9950
AbstractAn atomic-scale theory of the viscoelastic response of metallic glasses is derived from first principles, using a Zwanzig-Caldeira-Leggett system-bath Hamiltonian as a starting point within the framework of nonaffine linear response to mechanical deformation. This approach provides a generalized Langevin equation (GLE) as the average equation of motion for an atom or ion in the material, from which non-Markovian nonaffine viscoelastic moduli are extracted. These can be evaluated using the vibrational density of states (DOS) as input, where the boson peak plays a prominent role in the mechanics. To compare with experimental data for binary ZrCu alloys, a numerical DOS was obtained from simulations of this system, which also take electronic degrees of freedom into account via the embedded-atom method for the interatomic potential. It is shown that the viscoelastic a-relaxation, including the a-wing asymmetry in the loss modulus, can be very well described by the theory if the memory kernel (the non-Markovian friction) in the GLE is taken to be a stretched-exponential decaying function of time. This finding directly implies strong memory effects in the atomic-scale dynamics and suggests that the a-relaxation time is related to the characteristic time scale over which atoms retain memory of their previous collision history. This memory time grows dramatically below the glass transition.
DOI10.1103/PhysRevB.96.094203
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Indexed BySCI
Language英语
WOS IDWOS:000411075000003
WOS KeywordMOLECULAR-DYNAMICS ; DEFORMATION ; RELAXATION ; SOLIDS ; TEMPERATURE ; SIMULATIONS ; PEAK
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
Funding OrganizationNSFC(11402269 ; National Key Research Development Program of China(2017YFB0702003) ; Chinese Academy of Sciences(XDB22040302) ; 11672299 ; 11472287)
DepartmentLNM冲击动力学与新型材料力学性能
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Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/70064
Collection非线性力学国家重点实验室
Corresponding AuthorWang, YJ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.; Wang, YJ (reprint author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China.
Recommended Citation
GB/T 7714
Cui, Bingyu,Yang, Jie,Qiao, Jichao,et al. Atomic theory of viscoelastic response and memory effects in metallic glasses[J]. PHYSICAL REVIEW B,2017,96(9).
APA Cui, Bingyu.,Yang, Jie.,Qiao, Jichao.,蒋敏强.,戴兰宏.,...&Wang, YJ .(2017).Atomic theory of viscoelastic response and memory effects in metallic glasses.PHYSICAL REVIEW B,96(9).
MLA Cui, Bingyu,et al."Atomic theory of viscoelastic response and memory effects in metallic glasses".PHYSICAL REVIEW B 96.9(2017).
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