scholarly journals Polymerization and Structure of Opposing Polymer Brushes Studied by Computer Simulations

Polymers ◽  
2021 ◽  
Vol 13 (24) ◽  
pp. 4294
Author(s):  
Krzysztof Halagan ◽  
Michal Banaszak ◽  
Jaroslaw Jung ◽  
Piotr Polanowski ◽  
Andrzej Sikorski
Keyword(s):  
Polymer Brushes ◽  
Coarse Grained ◽  
Polymerization Process ◽  
Face Centered Cubic ◽  
Cubic Lattice ◽  
Large Size ◽  
Macromolecular Systems ◽  
Liquid Model ◽  
Parallel Surfaces ◽  
Face Centered

A model of the polymerization process during the formation of a pair of polymer brushes was designed and investigated. The obtained system consisted of two impenetrable parallel surfaces with the same number of chains grafted on both surfaces. Coarse-grained chains embedded in nodes of a face-centered cubic lattice with excluded volume interactions were obtained by a ‘grafted from’ procedure. The structure of synthesized macromolecular systems was also studied. Monte Carlo simulations using the dynamic lattice liquid model were employed using dedicated parallel machine ARUZ in a large size and time scale. The parameters of the polymerization process were found to be crucial for the proper structure of the brush. It was found that for high grafting densities, chains were increasingly compressed, and there is surprisingly little interpenetration of chains from opposite surfaces. It was predicted and confirmed that in a polydisperse sample, the longer chains have unique configurations consisting of a stretched stem and a coiled crown.

scholarly journals Eccentricity based topological indices of face centered cubic lattice FCC(n)

2020 ◽  
Vol 44 (1) ◽  
pp. 32-38
Author(s):  
Hani Shaker ◽  
Muhammad Imran ◽  
Wasim Sajjad
Keyword(s):  
Wiener Index ◽  
Face Centered Cubic ◽  
Eccentric Connectivity Index ◽  
Zagreb Index ◽  
Cubic Lattice ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Wide Range ◽  
Unit Cells ◽  
Face Centered

Abstract Chemical graph theory has become a prime gadget for mathematical chemistry due to its wide range of graph theoretical applications for solving molecular problems. A numerical quantity is named as topological index which explains the topological characteristics of a chemical graph. Recently face centered cubic lattice FCC(n) attracted large attention due to its prominent and distinguished properties. Mujahed and Nagy (2016, 2018) calculated the precise expression for Wiener index and hyper-Wiener index on rows of unit cells of FCC(n). In this paper, we present the ECI (eccentric-connectivity index), TCI (total-eccentricity index), CEI (connective eccentric index), and first eccentric Zagreb index of face centered cubic lattice.

MINIMAL KNOTTING NUMBERS

2009 ◽  
Vol 18 (08) ◽  
pp. 1159-1173 ◽  
Author(s):  
CASEY MANN ◽  
JENNIFER MCLOUD-MANN ◽  
RAMONA RANALLI ◽  
NATHAN SMITH ◽  
BENJAMIN MCCARTY
Keyword(s):  
The Body ◽  
Computer Algorithm ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Cubic Lattice ◽  
The Face ◽  
Face Centered ◽  
Body Centered Cubic Lattice

This article concerns the minimal knotting number for several types of lattices, including the face-centered cubic lattice (fcc), two variations of the body-centered cubic lattice (bcc-14 and bcc-8), and simple-hexagonal lattices (sh). We find, through the use of a computer algorithm, that the minimal knotting number in sh is 20, in fcc is 15, in bcc-14 is 13, and bcc-8 is 18.

Epitaxial Ni nanoparticles on CaF2(001), (110) and (111) surfaces studied by three-dimensional RHEED, GIXD and GISAXS reciprocal-space mapping techniques

2017 ◽  
Vol 50 (3) ◽  
pp. 830-839 ◽  
Author(s):  
S. M. Suturin ◽  
V. V. Fedorov ◽  
A. M. Korovin ◽  
N. S. Sokolov ◽  
A. V. Nashchekin ◽  
...  
Keyword(s):  
Lattice Structure ◽  
Three Dimensional ◽  
Grazing Incidence ◽  
High Energy ◽  
Reciprocal Space ◽  
Mapping Technique ◽  
Face Centered Cubic ◽  
X Ray ◽  
Cubic Lattice ◽  
Face Centered

The development of growth techniques aimed at the fabrication of nanoscale heterostructures with layers of ferroic 3dmetals on semiconductor substrates is very important for their potential usage in magnetic media recording applications. A structural study is presented of single-crystal nickel island ensembles grown epitaxially on top of CaF2/Si insulator-on-semiconductor heteroepitaxial substrates with (111), (110) and (001) fluorite surface orientations. The CaF2buffer layer in the studied multilayer system prevents the formation of nickel silicide, guides the nucleation of nickel islands and serves as an insulating layer in a potential tunneling spin injection device. The present study, employing both direct-space and reciprocal-space techniques, is a continuation of earlier research on ferromagnetic 3dtransition metals grown epitaxially on non-magnetic and magnetically ordered fluorides. It is demonstrated that arrays of stand-alone faceted nickel islands with a face-centered cubic lattice can be grown controllably on CaF2surfaces of (111), (110) and (001) orientations. The proposed two-stage nickel growth technique employs deposition of a thin seeding layer at low temperature followed by formation of the islands at high temperature. The application of an advanced three-dimensional mapping technique exploiting reflection high-energy electron diffraction (RHEED) has proved that the nickel islands tend to inherit the lattice orientation of the underlying fluorite layer, though they exhibit a certain amount of {111} twinning. As shown by scanning electron microscopy, grazing-incidence X-ray diffraction (GIXD) and grazing-incidence small-angle X-ray scattering (GISAXS), the islands are of similar shape, being faceted with {111} and {100} planes. The results obtained are compared with those from earlier studies of Co/CaF2epitaxial nanoparticles, with special attention paid to the peculiarities related to the differences in lattice structure of the deposited metals: the dual-phase hexagonal close-packed/face-centered cubic lattice structure of cobalt as opposed to the single-phase face-centered cubic lattice structure of nickel.

Analysis of a Compression Test of a Model of a Granular Medium

1959 ◽  
Vol 26 (2) ◽  
pp. 251-258
Author(s):  
C. W. Thurston ◽  
H. Deresiewicz
Keyword(s):  
Uniaxial Compression ◽  
Compression Test ◽  
Experimental Work ◽  
Granular Medium ◽  
Initial Pressure ◽  
Face Centered Cubic ◽  
Total Stress ◽  
Cubic Lattice ◽  
Isotropic Pressure ◽  
Face Centered

Abstract A granular medium is idealized here by a model composed of contiguous like spheres arranged in a face-centered cubic lattice. Total stress-strain relations for this model are derived by integrating incremental relations, given previously by Duffy and Mindlin, for a loading program which consists of a uniaxial compression applied concurrently with a related isotropic pressure. Further, the failure stress in uniaxial compression is determined as a function of initial pressure. Results of experimental work are reported which agree with predictions of the theory.

scholarly journals PHOTONIC BAND STRUCTURE OF FACE CENTERED CUBIC LATTICE IN CHIRAL MEDIUM

1997 ◽  
Vol 46 (12) ◽  
pp. 2325
Author(s):  
JIN CHONG-JUN ◽  
QIN BAI ◽  
YANG MIAO ◽  
QIN RU-HU
Keyword(s):  
Band Structure ◽  
Chiral Medium ◽  
Face Centered Cubic ◽  
Photonic Band Structure ◽  
Cubic Lattice ◽  
Face Centered ◽  
Photonic Band
Sign in / Sign up

Export Citation Format

Share Document