000015209 001__ 15209
000015209 005__ 20161115100214.0
000015209 04107 $$aeng
000015209 046__ $$k2016-08-21
000015209 100__ $$aKhosrownejad, Mostafa
000015209 24500 $$aCrack propagation mechanisms in amorphous LiSi alloys: Insights from molecular dynamics

000015209 24630 $$n24.$$p24th International Congress of Theoretical and Applied Mechanics - Book of Papers
000015209 260__ $$bInternational Union of Theoretical and Applied Mechanics, 2016
000015209 506__ $$arestricted
000015209 520__ $$2eng$$ag Despite apparent promise of silicon as anode material for lithium-ion batteries, the fiacture characteristics of lithiated Si are largely unknown. Here, we report an atomistic study of the fiacture toughness of lithiated Si for LixS i compositions of x = 0.5, 1.0, 1.5. We measure similar near-steady-state fracture toughness for all compositions, with void nucleation and coalescence observed to be the main mechanism of crack growth. With increasing Li content, the plastic flow stress decreases but the material becomes more susceptible to void nucleation and growth. To gain more insight, simulations of plane-strain expansion of uncracked samples provide complementary information on the void nucleation and growth, consistent with the fracture simulations. We also investigate the effect of discharging and show that the increased structural disorder generated by discharging decreases the flow stresses but expedites void nucleation and growth, indicating that the flow and fracture of lithiated silicon depends on the history of charging/discharging.

000015209 540__ $$aText je chráněný podle autorského zákona č. 121/2000 Sb.
000015209 653__ $$a

000015209 7112_ $$a24th International Congress of Theoretical and Applied Mechanics$$cMontreal (CA)$$d2016-08-21 / 2016-08-26$$gICTAM2016
000015209 720__ $$aKhosrownejad, Mostafa
000015209 8560_ $$ffischerc@itam.cas.cz
000015209 8564_ $$s177208$$uhttps://invenio.itam.cas.cz/record/15209/files/TS.SM05-5.03.pdf$$yOriginal version of the author's contribution as presented on CD,  page 2068, code TS.SM05-5.03
.
000015209 962__ $$r13812
000015209 980__ $$aPAPER