Elastic strain engineering for unprecedented materials properties

Li, Ju; Shan, Zhiwei; Ma, Evan

doi:10.1557/mrs.2014.3

Cited by 236 publications

(215 citation statements)

References 35 publications

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“…Thus it is very likely to be synthesized from Si-II as well, by using the same experimental protocols such as diamond anvil cell [28], nanoindentation [30], and perhaps elastic strain engineering [37]. We provide the comparison of simulated X-ray diffraction pattern for BC8, R8 and T32 structures as shown in 7.…”

Section: Decompression On Si-iimentioning

confidence: 99%

Generalized evolutionary metadynamics for sampling the energy landscapes and its applications

et al. 2015

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We present an automated scheme to systematically sample energy landscapes of crystalline solids, based on the ideas of metadynamics and evolutionary algorithms. Phase transitions are driven by the evolution of the order parameter (in this case, 6-dimensional cell vectors) and aided by atomic displacements corresponding to both zero and non-zero wave vectors, enabling cell size to spontaneously change during simulation. Our technique can be used for efficient prediction of stable crystal structures, and is particularly powerful for mining numerous low-energy configurations and phase transition pathways. By applying this method to boron, we find numerous energetically competitive configurations, based on various packings of B12 icosahedra. We also observed a low-energy metastable structure of Si(T32) which is likely to be a product of decompression on Si-II. T32 is calculated to have a quasidirect band gap of 1.28 eV, making it promising for photovoltaic applications.

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Section: Decompression On Si-iimentioning

confidence: 99%

Generalized evolutionary metadynamics for sampling the energy landscapes and its applications

et al. 2015

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“…For example, surface energies play a crucial role in nanoparticle phase stability, leading to size-dependent modifications of solid-liquid 1,2 or solid-solid 3,4 transition temperatures, but the dynamics of these transformations have not been resolved using techniques providing both atomic-scale and femtosecond resolution, the relevant length and timescales for these processes. The elastic properties and stress and strain response exhibited by nanocrystals are size dependent with novel mechanical properties emerging at the nanoscale, associated with variations in bulk moduli and the ability to withstand extreme stresses without inelastic or plastic responses [5][6][7][8][9] . These properties have been utilized in the development of nanowire electrochemical cells in which ion-induced transformations are markedly modified compared with the bulk 10 and in the engineering of nanoscale thin films or two-dimensional materials with unique strain-induced structural phases 11,12 .…”

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confidence: 99%

Visualization of nanocrystal breathing modes at extreme strains

et al. 2015

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Nanoscale dimensions in materials lead to unique electronic and structural properties with applications ranging from site-specific drug delivery to anodes for lithium-ion batteries. These functional properties often involve large-amplitude strains and structural modifications, and thus require an understanding of the dynamics of these processes. Here we use femtosecond X-ray scattering techniques to visualize, in real time and with atomic-scale resolution, light-induced anisotropic strains in nanocrystal spheres and rods. Strains at the percent level are observed in CdS and CdSe samples, associated with a rapid expansion followed by contraction along the nanosphere or nanorod radial direction driven by a transient carrierinduced stress. These morphological changes occur simultaneously with the first steps in the melting transition on hundreds of femtosecond timescales. This work represents the first direct real-time probe of the dynamics of these large-amplitude strains and shape changes in few-nanometre-scale particles.

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“…Nano structured bioactive substrates 1 are capable of enhancing the proliferation of osteoblast cells. The type and nature of modified surfaces have contributed to the interfacial adhesion of bone cells to bioactive surfaces.…”

Section: Introductionmentioning

confidence: 99%