Nano breathers and molecular dynamics simulations in hydrogen-bonded chains

Kavitha, L.; Muniyappan, A.; Prabhu, A.; Zdravković, Slobodan; Jayanthi, S.; Gopi, D.

doi:10.1007/s10867-012-9283-7

Cited by 19 publications

(6 citation statements)

References 65 publications

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“…Indeed, the investigations of localization modes in lattices with graded mass and graded interaction have obtained the equivalent results, which then supports our noting here [22]. Besides, we would like to mention that the alternating lattice is also associated with some real systems, such as the hydrogen-bonded chains with alternating intraand intermolecular covalent bonding interactions [23], the alternating bond Ising chains (having a nonuniversal critical dynamics by introducing the bonds alternating) [24], and the supperlattices (can be viewed as chains with regularly varying exchange interactions) [25]. In particular, it can model the carbon nanotubes with bond length alternation, since the bond force constant depends on the length.…”

Section: Introductionsupporting

confidence: 87%

Heat transport enhanced by optical phonons in one-dimensional anharmonic lattices with alternating bonds

2013

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In lattice systems, the effects of optical phonons on heat transport are usually neglected due to their relatively small group velocities compared with acoustic phonons, or even assumed to be negative because introducing optical phonons may simultaneously reduce the group velocities of acoustic phonons. In order to well understand the role played by optical phonons, we propose a one-dimensional anharmonic lattice model with alternating interactions, where the optical phonons can be conveniently tuned. We find that in contrast to previous studies, the optical phonons (in coordination with the nonlinearities) can enhance heat transport in the thermodynamical limit, suggesting that optical phonons can also play an active role. The underlying mechanism is related to the effects of two kinds of nonlinear excitations, i.e., the optical and the gap discrete breathers (DBs). These DBs release energy and in turn facilitate heat transport.

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Section: Introductionsupporting

confidence: 87%

Heat transport enhanced by optical phonons in one-dimensional anharmonic lattices with alternating bonds

2013

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“…This effect is well‐known for the nonlinear lattices . It has been observed in one‐dimensional , two‐dimensional (), and three‐dimensional () models. This phenomenon is interesting because the unstable dynamics can be highly nontrivial and counterintuitive.…”

Section: Modulational Instability and Discrete Breathersmentioning

confidence: 73%

Auxeticity from nonlinear vibrational modes

Korznikova

Bokij²,

Zhou

2016

Physica Status Solidi (b)

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Abstractauthoren It is demonstrated that the large‐amplitude, short‐wavelength vibrational modes excited in the lattice can change its elastic properties due to physical and/or geometric nonlinearity of the lattice bonds. Depending on the symmetry of the vibrational mode the symmetry of the elastic properties of the lattice can also change. Using as an example the two‐dimensional honeycomb structure with normalβ‐FPU pairwise interparticle interactions, we demonstrate that the excitation of a large‐amplitude vibrational mode in combination with equiaxial tensile strain can change the sign of the Poisson's ratio from positive to negative, thus leading to the auxetic property of the lattice. It is shown that the considered lattice supports discrete breathers, i.e., spatially localized nonlinear vibrational modes. The excitation of the discrete breathers as a result of the modulational instability of the extended short‐wavelength modes is analyzed. Our results contribute to the understanding of the relation between the elastic properties and nonlinear dynamics of the lattices of interacting particles. Extended vibrational modes in the 2D honeycomb lattice presented by the stroboscopic pictures of the particle motion. Excitation of such modes with sufficiently large amplitude in combination with equiaxial tension changes the sign of the Poisson's ratio of the lattice from positive to negative.

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“…Kavitha et al also reported the solitonic dynamics of the chain polarization in HB systems, when tunnel processes prevail over the thermal activation and analyzed the tunneling between two opposite directions governed by a bistable potential system at low temperature [2,5]. They suggested a possible coherent tunneling mechanism of spontaneous polarization oscillations of HB chain.…”

Section: B(x T)mentioning

confidence: 99%

“…For this reason, peptides have served as valuable models for larger biomolecules and proteins. A special property of PGs is their ability to form HBs [2] with each other, and with water and other molecules in the environment. The study of HB chains [3][4][5] can lead to insight regarding how local interactions can dictate global features of PCs and proteins.…”

Section: Introductionmentioning

confidence: 99%

Energy transport mechanism in the form of proton soliton in a one-dimensional hydrogen-bonded polypeptide chain

et al. 2015

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The dynamics of protons in a one-dimensional hydrogen-bonded (HB) polypeptide chain (PC) is investigated theoretically. A new Hamiltonian is formulated with the inclusion of higher-order molecular interactions between peptide groups (PGs). The wave function of the excitation state of a single particle is replaced by a new wave function of a two-quanta quasi-coherent state. The dynamics is governed by a higher-order nonlinear Schrödinger equation and the energy transport is performed by the proton soliton. A nonlinear multiple-scale perturbation analysis has been performed and the evolution of soliton parameters such as velocity and amplitude is explored numerically. The proton soliton is thermally stable and very robust against these perturbations. The energy transport by the proton soliton is more appropriate to understand the mechanism of energy transfer in biological processes such as muscle contraction, DNA replication, and neuro-electric pulse transfer on biomembranes.

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Nano breathers and molecular dynamics simulations in hydrogen-bonded chains

Cited by 19 publications

References 65 publications

Heat transport enhanced by optical phonons in one-dimensional anharmonic lattices with alternating bonds

Heat transport enhanced by optical phonons in one-dimensional anharmonic lattices with alternating bonds

Auxeticity from nonlinear vibrational modes

Energy transport mechanism in the form of proton soliton in a one-dimensional hydrogen-bonded polypeptide chain

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