TITLE

Stress generation in silicon particles during lithium insertion

AUTHOR(S)
Golmon, Stephanie; Maute, Kurt; Se-Hee Lee; Dunn, Martin L.
PUB. DATE
July 2010
SOURCE
Applied Physics Letters;7/19/2010, Vol. 97 Issue 3, p033111
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Using a fully-coupled diffusion-elasticity model with Butler–Volmer surface kinetics, we simulate the insertion of lithium into spherical silicon particles. Simulations predict the evolution of concentration, displacements, and stresses in the particles during the first insertion of Li. The particle response depends strongly on the reaction kinetics and the resulting stresses can be above the tensile failure stress of silicon depending on the particle size and discharge rate.
ACCESSION #
52479380

 

Related Articles

  • Brownian dynamics simulations of diffusion controlled reactions with finite reactivity. Srinivasalu Gupta, J.; Khakhar, D. V. // Journal of Chemical Physics;8/8/1997, Vol. 107 Issue 6, p1915 

    A new Brownian dynamics simulation technique is presented for the calculation of the effective rate constant for diffusion controlled reactions with a finite intrinsic reactivity. The technique is based on the calculation of the recollision probability of a molecule with a reactive site using a...

  • Phosphorus and boron diffusion gettering of iron in monocrystalline silicon. Talvitie, H.; Vähänissi, V.; Haarahiltunen, A.; Yli-Koski, M.; Savin, H. // Journal of Applied Physics;May2011, Vol. 109 Issue 9, p093505 

    We have studied experimentally the phosphorus diffusion gettering (PDG) of iron in monocrystalline silicon at the temperature range of 650-800 °C. Our results fill the lack of data at low temperatures so that we can obtain a reliable segregation coefficient for iron between a phosphorus...

  • Mechanisms of countergradient diffusion in turbulent combustion. Yoshizawa, Akira; Fujiwara, Hitoshi; Abe, Hiroyuki; Matsuo, Yuichi // Physics of Fluids;Jan2009, Vol. 21 Issue 1, pN.PAG 

    The mechanism of countergradient diffusion of chemical species and heat in turbulent combustion is sought with the aid of the results by the two-scale direct-interaction approximation. The deviation of the Reynolds stress and the turbulent fluxes of chemical species, heat, and mass from their...

  • Finite concentration effects on diffusion-controlled reactions. Senapati, Sanjib; Wong, Chung F.; McCammon, J. Andrew // Journal of Chemical Physics;10/22/2004, Vol. 121 Issue 16, p7896 

    The algorithm by Northrup, Allison, and McCammon [J. Chem. Phys. 80, 1517 (1984)] has been used for two decades for calculating the diffusion-influenced rate-constants of enzymatic reactions. Although many interesting results have been obtained, the algorithm is based on the assumption that...

  • Contact and Distant Luminescence Quenching in Solutions. Burshtein, Anatoly I. // Advances in Physical Chemistry;2009, p1 

    The limitations and advantages of modern encounter theories of remote transfer are discussed, as well as their application to particular transfer reactions assisted by encounter diffusion. Comparison is made with contact multiparticle theories, Brownian dynamic simulations, and the actual...

  • Failure of one-dimensional Smoluchowski diffusion models to describe the duration of conformational rearrangements in floppy, diffusive molecular systems: A case study of polymer cyclization. Cheng, Ryan R.; Makarov, Dmitrii E. // Journal of Chemical Physics;2/28/2011, Vol. 134 Issue 8, p085104 

    Motivated by recent experimental efforts to measure the duration of individual folding/unfolding transitions in proteins and RNA, here we use simulations to study the duration of a simple transition mimicking an elementary step in biopolymer folding: the closure of a loop in a long polymer...

  • Patch-distribution effect on diffusion-limited process in dilute suspension of partially active spheres. Jui-Chuang Wu; Shih-Yuan Lu // Journal of Chemical Physics;1/14/2006, Vol. 124 Issue 2, p024911 

    The normalized overall rate constant, kp/kf for diffusion-limited processes in a dilute suspension of spheres, partially covered with active patches of varying distribution states, is studied with sped-up Brownian dynamic simulations. A dimensionless separation index Is is defined to quantify...

  • Kinetic lattice Monte Carlo simulation of viscoelastic subdiffusion. Fritsch, Christian C.; Langowski, Jörg // Journal of Chemical Physics;8/14/2012, Vol. 137 Issue 6, p064114 

    We propose a kinetic Monte Carlo method for the simulation of subdiffusive random walks on a Cartesian lattice. The random walkers are subject to viscoelastic forces which we compute from their individual trajectories via the fractional Langevin equation. At every step the walkers move by one...

  • Nanoplate elasticity under surface reconstruction. Shim, Hyun Woo; Zhou, L. G.; Hanchen Huang; Cale, Timothy S. // Applied Physics Letters;4/11/2005, Vol. 86 Issue 15, p151912 

    Using classical molecular statics simulations, we show that nanoplate elasticity strongly depends on surface reconstruction and alignment of bond chains. Because of its well-established surface reconstructions and the readily available interatomic potential, diamond-cubic silicon is the...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics