scholarly journals Modeling the Contact Mechanics of Hydrogels

Lubricants ◽  
2019 ◽  
Vol 7 (4) ◽  
pp. 35
Author(s):  
Martin H. Müser ◽  
Han Li ◽  
Roland Bennewitz

A computationally lean model for the coarse-grained description of contact mechanics of hydrogels is proposed and characterized. It consists of a simple bead-spring model for the interaction within a chain, potentials describing the interaction between monomers and mold or confining walls, and a coarse-grained potential reflecting the solvent-mediated effective repulsion between non-bonded monomers. Moreover, crosslinking only takes place after the polymers have equilibrated in their mold. As such, the model is able to reflect the density, solvent quality, and the mold hydrophobicity that existed during the crosslinking of the polymers. Finally, such produced hydrogels are exposed to sinusoidal indenters. The simulations reveal a wavevector-dependent effective modulus E * ( q ) with the following properties: (i) stiffening under mechanical pressure, and a sensitivity of E * ( q ) on (ii) the degree of crosslinking at large wavelengths, (iii) the solvent quality, and (iv) the hydrophobicity of the mold in which the polymers were crosslinked. Finally, the simulations provide evidence that the elastic heterogeneity inherent to hydrogels can suffice to pin a compressed hydrogel to a microscopically frictionless wall that is undulated at a mesoscopic length scale. Although the model and simulations of this feasibility study are only two-dimensional, its generalization to three dimensions can be achieved in a straightforward fashion.

Author(s):  
Walter Craig ◽  
Philippe Guyenne ◽  
David P. Nicholls ◽  
Catherine Sulem

This paper is a study of the problem of nonlinear wave motion of the free surface of a body of fluid with a periodically varying bottom. The object is to describe the character of wave propagation in a long–wave asymptotic regime, extending the results of R. Rosales & G. Papanicolaou (1983 Stud. Appl. Math. 68 , 89–102) on periodic bottoms for two–dimensional flows.We take the point of view of perturbation of a Hamiltonian system dependent on a small scaling parameter, with the starting point being Zakharov's Hamiltonian (V. E. Zakharov 1968 J. Appl. Mech. Tech. Phys. 9, 1990–1994) for the Euler equations for water waves. We consider bottom topography which is periodic in horizontal variables on a short length–scale, with the amplitude of variation being of the same order as the fluid depth. The bottom may also exhibit slow variations at the same length–scale as, or longer than, the order of the wavelength of the surface waves. We do not take up the question of random bottom variations, a topic which is considered in Rosales & Papanicolaou (1983). In the two–dimensional case of waves in a channel, we give an alternate derivation of the effective Korteweg–de Vries (KdV) equation that is obtained in Rosales & Papanicolaou (1983). In addition, we obtain effective Boussinesq equations that describe the motion of bidirectional long waves, in cases in which the bottom possesses both short and long–scale variations. In certain cases we also obtain unidirectional equations that are similar to the KdV equation. In three dimensions we obtain effective three–dimensional long–wave equations in a Boussinesq scaling regime, and again in certain cases an effective Kadomtsev–Petviashvili (KP) system in the appropriate unidirectional limit. The computations for these results are performed in the framework of an asymptotic analysis of multiple–scale operators. In the present case this involves the Dirichlet–Neumann operator for the fluid domain which takes into account the variations in bottom topography as well as the deformations of the free surface from equilibrium.


Author(s):  
Chayanna Harish Chinthal ◽  
Channappa N. Kavitha ◽  
Hemmige S. Yathirajan ◽  
Sabine Foro ◽  
Christopher Glidewell

Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines have been prepared using carbodiimide-mediated coupling reactions between halobenzoic acids and N-(2-methoxyphenyl)piperazine. The molecules of 1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)piperazine, C18H19FN2O2 (I), are linked into a chain of rings by a combination of C—H...O and C—H...π(arene) hydrogen bonds. 1-(4-Chlorobenzoyl)-4-(2-methoxyphenyl)piperazine, C18H19ClN2O2 (II), crystallizes in the space group Pca21 with Z′ = 4 and it exhibits both pseudosymmetry and inversion twinning: a combination of six C—H...O and two C—H...π(arene) hydrogen bonds generate a three-dimensional assembly. In 1-(4-bromobenzoyl)-4-(2-methoxyphenyl)piperazine, C18H19BrN2O2 (III), which also crystallizes in space group Pca21 but with Z′ = 2, the bromobenzoyl unit in one of the molecules is disordered. Pseudosymmetry and inversion twinning are again present, and a combination of three C—H...O and one C—H...π(arene) hydrogen bonds generate a two-dimensional assembly. A single C—H...O hydrogen bond links the molecules of 1-(4-iodobenzoyl)-4-(2-methoxyphenyl)piperazine, C18H19IN2O2 (IV), into simple chains but in the isomeric 3-iodobenzoyl analogue (V), which crystallizes in space group P212121 with Z′ = 2, a two-dimensional assembly is generated by a combination of four C—H...O and two C—H...π(arene) hydrogen bonds; pseudosymmetry and inversion twinning are again present. A single C—H...O hydrogen bond links the molecules of 1-(2-fluorobenzoyl)-4-(2-methoxyphenyl)piperazine, C18H19FN2O2 (VI), into simple chains. Comparisons are made with the structures of some related compounds.


2021 ◽  
Vol 2021 (7) ◽  
Author(s):  
Arjun Bagchi ◽  
Sudipta Dutta ◽  
Kedar S. Kolekar ◽  
Punit Sharma

Abstract Two dimensional field theories with Bondi-Metzner-Sachs symmetry have been proposed as duals to asymptotically flat spacetimes in three dimensions. These field theories are naturally defined on null surfaces and hence are conformal cousins of Carrollian theories, where the speed of light goes to zero. In this paper, we initiate an investigation of anomalies in these field theories. Specifically, we focus on the BMS equivalent of Weyl invariance and its breakdown in these field theories and derive an expression for Weyl anomaly. Considering the transformation of partition functions under this symmetry, we derive a Carrollian Liouville action different from ones obtained in the literature earlier.


Author(s):  
RANI SIROMONEY ◽  
K. G. SUBRAMANIAN ◽  
P. J. ABISHA

Language theoretic public key cryptosystems for strings and pictures are discussed. Two methods of constructing public key cryptosystems for the safe transmission or storage of chain code pictures are presented; the first one encrypts a chain code picture as a string and the second one as a two-dimensional array.


1999 ◽  
Vol 121 (5) ◽  
pp. 480-486 ◽  
Author(s):  
O. I. Craciunescu ◽  
S. K. Das ◽  
S. T. Clegg

Dynamic contrast-enhanced magnetic resonance imaging (DE-MRI) of the tumor blood pool is used to study tumor tissue perfusion. The results are then analyzed using percolation models. Percolation cluster geometry is depicted using the wash-in component of MRI contrast signal intensity. Fractal characteristics are determined for each two-dimensional cluster. The invasion percolation model is used to describe the evolution of the tumor perfusion front. Although tumor perfusion can be depicted rigorously only in three dimensions, two-dimensional cases are used to validate the methodology. It is concluded that the blood perfusion in a two-dimensional tumor vessel network has a fractal structure and that the evolution of the perfusion front can be characterized using invasion percolation. For all the cases studied, the front starts to grow from the periphery of the tumor (where the feeding vessel was assumed to lie) and continues to grow toward the center of the tumor, accounting for the well-documented perfused periphery and necrotic core of the tumor tissue.


Author(s):  
Cyril Dubus ◽  
Ken Sekimoto ◽  
Jean-Baptiste Fournier

We establish the most general form of the discrete elasticity of a two-dimensional triangular lattice embedded in three dimensions, taking into account up to next-nearest-neighbour interactions. Besides crystalline system, this is relevant to biological physics (e.g. red blood cell cytoskeleton) and soft matter (e.g. percolating gels, etc.). In order to correctly impose the rotational invariance of the bulk terms, it turns out to be necessary to take into account explicitly the elasticity associated with the vertices located at the edges of the lattice. We find that some terms that were suspected in the literature to violate rotational symmetry are, in fact, admissible.


2008 ◽  
Vol 62 (1) ◽  
Author(s):  
Peter C. Chu

The Navy’s mine impact burial prediction model creates a time history of a cylindrical or a noncylindrical mine as it falls through air, water, and sediment. The output of the model is the predicted mine trajectory in air and water columns, burial depth/orientation in sediment, as well as height, area, and volume protruding. Model inputs consist of parameters of environment, mine characteristics, and initial release. This paper reviews near three decades’ effort on model development from one to three dimensions: (1) one-dimensional models predict the vertical position of the mine’s center of mass (COM) with the assumption of constant falling angle, (2) two-dimensional models predict the COM position in the (x,z) plane and the rotation around the y-axis, and (3) three-dimensional models predict the COM position in the (x,y,z) space and the rotation around the x-, y-, and z-axes. These models are verified using the data collected from mine impact burial experiments. The one-dimensional model only solves one momentum equation (in the z-direction). It cannot predict the mine trajectory and burial depth well. The two-dimensional model restricts the mine motion in the (x,z) plane (which requires motionless for the environmental fluids) and uses incorrect drag coefficients and inaccurate sediment dynamics. The prediction errors are large in the mine trajectory and burial depth prediction (six to ten times larger than the observed depth in sand bottom of the Monterey Bay). The three-dimensional model predicts the trajectory and burial depth relatively well for cylindrical, near-cylindrical mines, and operational mines such as Manta and Rockan mines.


Author(s):  
Anthony M.J Davis ◽  
Stefan G Llewellyn Smith

Motivated by problems involving diffusion through small gaps, we revisit two-dimensional eigenvalue problems with localized perturbations to Neumann boundary conditions. We recover the known result that the gravest eigenvalue is O (|ln  ϵ | −1 ), where ϵ is the ratio of the size of the hole to the length-scale of the domain, and provide a simple and constructive approach for summing the inverse logarithm terms and obtaining further corrections. Comparisons with numerical solutions obtained for special geometries, both for the Dirichlet ‘patch problem’ where the perturbation to the boundary consists of a different boundary condition and for the gap problem, confirm that this approach is a simple way of obtaining an accurate value for the gravest eigenvalue and hence the long-term outcome of the underlying diffusion problem.


1993 ◽  
Vol 69 (3) ◽  
pp. 965-979 ◽  
Author(s):  
K. Hepp ◽  
A. J. Van Opstal ◽  
D. Straumann ◽  
B. J. Hess ◽  
V. Henn

1. Although the eye has three rotational degrees of freedom, eye positions, during fixations, saccades, and smooth pursuit, with the head stationary and upright, are constrained to a plane by ListingR's law. We investigated whether Listing's law for rapid eye movements is implemented at the level of the deeper layers of the superior colliculus (SC). 2. In three alert rhesus monkeys we tested whether the saccadic motor map of the SC is two dimensional, representing oculocentric target vectors (the vector or V-model), or three dimensional, representing the coordinates of the rotation of the eye from initial to final position (the quaternion or Q-model). 3. Monkeys made spontaneous saccadic eye movements both in the light and in the dark. They were also rotated about various axes to evoke quick phases of vestibular nystagmus, which have three degrees of freedom. Eye positions were measured in three dimensions with the magnetic search coil technique. 4. While the monkey made spontaneous eye movements, we electrically stimulated the deeper layers of the SC and elicited saccades from a wide range of initial positions. According to the Q-model, the torsional component of eye position after stimulation should be uniquely related to saccade onset position. However, stimulation at 110 sites induced no eye torsion, in line with the prediction of the V-model. 5. Activity of saccade-related burst neurons in the deeper layers of the SC was analyzed during rapid eye movements in three dimensions. No systematic eye-position dependence of the movement fields, as predicted by the Q-model, could be detected for these cells. Instead, the data fitted closely the predictions made by the V-model. 6. In two monkeys, both SC were reversibly inactivated by symmetrical bilateral injections of muscimol. The frequency of spontaneous saccades in the light decreased dramatically. Although the remaining spontaneous saccades were slow, Listing's law was still obeyed, both during fixations and saccadic gaze shifts. In the dark, vestibularly elicited fast phases of nystagmus could still be generated in three dimensions. Although the fastest quick phases of horizontal and vertical nystagmus were slower by about a factor of 1.5, those of torsional quick phases were unaffected. 7. On the basis of the electrical stimulation data and the properties revealed by the movement field analysis, we conclude that the collicular motor map is two dimensional. The reversible inactivation results suggest that the SC is not the site where three-dimensional fast phases of vestibular nystagmus are generated.(ABSTRACT TRUNCATED AT 400 WORDS)


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