Relationship Between Flow Pattern, Constitutive Equation and Molecular Structure

A Molecular Structure-Informed Viscoelastic Constitutive Model for Natural Rubber Materials

Functional Composites and Structures ◽

10.1088/2631-6331/ac34fc ◽

2021 ◽

Author(s):

Jiwon Jung ◽

Chanwook Park ◽

myungshin RYU ◽

Gunjin Yun

Keyword(s):

Molecular Structure ◽

Constitutive Equation ◽

Molecular System ◽

Loss Modulus ◽

Low Frequency ◽

Viscoelastic Behavior ◽

Material Model ◽

Coarse Grained ◽

Diffusivity Coefficient ◽

Element Analysis

Abstract This paper presents a molecular structure-informed viscoelastic constitutive equation that adopts the Doi-Edward’s tube model with coarse-grained molecular dynamics (MD) simulation and primitive path analysis. Since this model contains polymer physics-related parameters directly obtained from molecular simulations, it can reflect molecular information in predictions of the viscoelastic behavior of elastomers, unlike other empirical models. The proposed incremental formulations and constitutive stiffness matrix were implemented into implicit finite element analysis (FEA) codes as a user-supplied material model and viscoelastic properties (storage, loss modulus, and tan⁡δ) were calculated from the constitutive equation. While obtaining polymer dynamics parameter of the molecular system, a relationship between self-diffusivity coefficient (D_c) and the polymerization degree of the polymer was confirmed. Furthermore, a series of parametric studies showed that increase of the primitive path length (L) and decrease of D_c have led to the strengthening of moduli and decrease of tan⁡δ peak. Moreover, under the same condition, the shift of tan⁡δ peak to low-frequency domain was observed, which implies a decline in free volume in the molecular system and an increase in the glass transition temperature.

Download Full-text

Prediction of Flow Pattern in Stirred Tanks: New Constitutive Equation for Eddy Viscosity

Industrial & Engineering Chemistry Research ◽

10.1021/ie0004951 ◽

2001 ◽

Vol 40 (7) ◽

pp. 1755-1772 ◽

Cited By ~ 9

Author(s):

Nandkishor K. Nere ◽

Ashwin W. Patwardhan ◽

Jyeshtharaj B. Joshi

Keyword(s):

Constitutive Equation ◽

Flow Pattern ◽

Eddy Viscosity ◽

Stirred Tanks

Download Full-text

Molecular Structure of the Outermost Cell Wall Component of Spirillum Serpens

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100079218 ◽

1977 ◽

Vol 35 ◽

pp. 342-343

Author(s):

Wah Chiu ◽

David Grano

Keyword(s):

Molecular Structure ◽

Cell Wall ◽

Outer Membrane ◽

Gel Electrophoresis ◽

Electron Microscopic Examination ◽

Electron Microscopic ◽

Cell Wall Component ◽

Protein Components ◽

Exposure Technique ◽

Structural Aspects

The periodic structure external to the outer membrane of Spirillum serpens VHA has been isolated by similar procedures to those used by Buckmire and Murray (1). From SDS gel electrophoresis, we have found that the isolated fragments contain several protein components, and that the crystalline structure is composed of a glycoprotein component with a molecular weight of ∽ 140,000 daltons (2). Under an electron microscopic examination, we have visualized the hexagonally-packed glycoprotein subunits, as well as the bilayer profile of the outer membrane. In this paper, we will discuss some structural aspects of the crystalline glycoproteins, based on computer-reconstructed images of the external cell wall fragments.The specimens were prepared for electron microscopy in two ways: negatively stained with 1% PTA, and maintained in a frozen-hydrated state (3). The micrographs were taken with a JEM-100B electron microscope with a field emission gun. The minimum exposure technique was essential for imaging the frozen- hydrated specimens.

Download Full-text

Morphology and development of flow-pattern defect with extended nonagitated Secco etching

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100172073 ◽

1994 ◽

Vol 52 ◽

pp. 868-869

Author(s):

Y. Pan

Keyword(s):

Flow Pattern ◽

Silicon Crystal ◽

Gate Oxide ◽

Crystal Growth Rate ◽

Etch Depth ◽

Force Microscopy ◽

Etch Pit ◽

Float Zone ◽

Atomic Force ◽

Multiple Step

The D defect, which causes the degradation of gate oxide integrities (GOI), can be revealed by Secco etching as flow pattern defect (FPD) in both float zone (FZ) and Czochralski (Cz) silicon crystal or as crystal originated particles (COP) by a multiple-step SC-1 cleaning process. By decreasing the crystal growth rate or high temperature annealing, the FPD density can be reduced, while the D defectsize increased. During the etching, the FPD surface density and etch pit size (FPD #1) increased withthe etch depth, while the wedge shaped contours do not change their positions and curvatures (FIG.l).In this paper, with atomic force microscopy (AFM), a simple model for FPD morphology by non-crystallographic preferential etching, such as Secco etching, was established.One sample wafer (FPD #2) was Secco etched with surface removed by 4 μm (FIG.2). The cross section view shows the FPD has a circular saucer pit and the wedge contours are actually the side surfaces of a terrace structure with very small slopes. Note that the scale in z direction is purposely enhanced in the AFM images. The pit dimensions are listed in TABLE 1.

Download Full-text