2008
DOI: 10.1063/1.2832639
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Molecular simulation strategy for mechanical modeling of amorphous/porous low-dielectric constant materials

Abstract: We propose an amorphous/porous molecular connection network generation algorithm for simulating the material stiffness of a low-k material (SiOC:H). Based on a given concentration of the basic building blocks, this algorithm will generate an approximate and large amorphous network. The molecular topology is obtained by distributing these blocks randomly into a predefined framework. Subsequently, a structural relaxation step including local and global perturbations is applied to achieve the most likely stereoch… Show more

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Cited by 15 publications
(12 citation statements)
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“…In literature, molecular dynamics (MD) methods have been used to develop atomistic models of low-k materials and the mechanical properties as well as the fracture behavior were analyzed. [37][38][39][40][41][42] H. Li and co-authors used molecular dynamics simulations to investigate the fundamental structure-property relationships of OSG low-k with a primary focus on the mass density and elastic properties. 43 To examine the role of the bridging units and terminal groups, two idealized classes of molecular models were considered that are built out of the backbone structure of amorphous silica.…”
Section: Impact Of Network Structure and Uv Radiation On Mechanical Smentioning
confidence: 99%
“…In literature, molecular dynamics (MD) methods have been used to develop atomistic models of low-k materials and the mechanical properties as well as the fracture behavior were analyzed. [37][38][39][40][41][42] H. Li and co-authors used molecular dynamics simulations to investigate the fundamental structure-property relationships of OSG low-k with a primary focus on the mass density and elastic properties. 43 To examine the role of the bridging units and terminal groups, two idealized classes of molecular models were considered that are built out of the backbone structure of amorphous silica.…”
Section: Impact Of Network Structure and Uv Radiation On Mechanical Smentioning
confidence: 99%
“…A schematic picture of SiOC(H) is shown in Fig. 4.46 [73]. The different Si atoms are usually related to the number of linked O atoms: zero (Z), mono (M), di (D), tri (T), and quadri (Q).…”
Section: Atomistic Model Of Sioc:hmentioning
confidence: 99%
“…In order to predict the Young's modulus of the molecule, a bar shaped molecular model is established [3][4][5]. Along the longitudinal direction, one end of the model is fixed in all degrees of freedom and a displacement with aconstant velocity is applied to the opposite end(which is illustrated in the inset).…”
Section: Boundary/loading Conditionsmentioning
confidence: 99%
“…Due to the amorphous and porous nature of the low-k material, a unique modeling technique is usded to introduce the atomic structure into the MD software. The detail description of the generation algorithm can be found in Ref [3,5]. Basically, the chemical structure of the low-k material is classified as four different basic building blocks, which has 4, 3, and 2 connection capabilities.…”
Section: Introductionmentioning
confidence: 99%