Phonon-mediated heat dissipation in a monatomic lattice: case study on Ni

Levchenko, Elena V.; Evteev, Alexander V.; Momenzadeh, Leila; Belova, Irina V.; Murch, Graeme E.

doi:10.1080/14786435.2015.1093666

Cited by 6 publications

(20 citation statements)

References 56 publications

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“…It was generally noted [2][3][4][5][6][7] that the second term in Equation (4), which is related to the second stage of the HCACF relaxation, dominates and contains most of the temperature dependence of the phonon thermal conductivity (see, as an example, Figure 2 with related data for the MD models of f.c.c. Cu and Ni [5][6][7]).…”

Section: Introductionmentioning

confidence: 98%

“…In the past, equilibrium molecular dynamics (MD) simulations in conjunction with the Green-Kubo formalism have been successfully used on several occasions to calculate the lattice (phonon) thermal conductivity of crystals with a monatomic unit cell [1][2][3][4][5][6][7]. All of them have revealed a two-stage decay (due to phonon-phonon interactions) in the heat current autocorrelation function (HCACF).…”

Section: Introductionmentioning

confidence: 99%

“…Taking into account the observed shapes of the HCACF of different MD models of monatomic f.c.c. crystals investigated at different temperatures, we have recently found and argued [5][6][7] that the HCACF of a monatomic lattice can be nicely and universally modelled with the following analytical function of the form:…”

Section: Introductionmentioning

confidence: 99%

“…The five parameters (A 1 , A 2 , τ 1 , τ 2 and x c ) of Equation (1) can readily be found by the fitting of C JJ t ð Þ extracted from MD simulations [5][6][7] (see, as an example, Figure 1 with the related data for the MD models of f.c.c. Cu and Ni calculated with embedded atom method potentials [12] and [13], respectively).…”

Section: Introductionmentioning

confidence: 99%

“…Hence, the analytical model for the HCACF given by Equation (1) suggests that k can be represented as [5][6][7]:…”

Section: Introductionmentioning

confidence: 99%

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Two-fluid nature of phonon heat conduction in a monatomic lattice

Evteev

Levchenko

Belova

et al. 2015

Philosophical Magazine

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The thermal resistance of a crystal lattice with a monatomic unit cell due to three-phonon scattering processes is investigated in detail theoretically. A general expression for the lattice thermal conductivity is derived from a combined analysis based on: (i) the Boltzmann equation and (ii) data on the heat current autocorrelation function obtained via molecular dynamics simulations in conjunction with the Green-Kubo formalism. It is argued that the phonon gas in a monatomic lattice conducts heat as if it consisted of two distinct parts (two 'thermal fluids'), so that the lattice thermal conductivity can be decomposed into contributions from these two parts. The origin of the behaviour of the phonon gas, which is explored in the present work, is due to an intrinsic interplay between Umklapp and normal three-phonon scattering processes. New insight into the nature of the lattice thermal conductivity is demonstrated and the results of the present work are in agreement with previous studies in this area.

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Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…Hence, the analytical model for the HCACF given by Equation (1) suggests that k can be represented as [5][6][7]:…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Two-fluid nature of phonon heat conduction in a monatomic lattice

Evteev

Levchenko

Belova

et al. 2015

Philosophical Magazine

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Composition dependence of diffusion and thermotransport in Ni-Al melts: A step towards molecular dynamics assisted databases

2017

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We present an extensive and self-consistent database of diffusion and thermotransport properties of molecular-dynamics models of Ni-Al melts with an embeddedatom method potential. The database is generated over wide temperature and composition ranges. A careful comparison with available fragmentary experimental data is made to ensure reliability of the employed model description of Ni-Al melts. A comprehensive analysis of the presented data is carried out and the emerging trends are discussed in details. In particular, a phenomenological model for the composition dependence of the enthalpy of mixing is introduced. This model accurately describes our simulation data for Ni-Al melts as well as enables an ease access to the partial enthalpies of species essential for precise characterization of thermotransport. Furthermore, an intriguing similarity between the shapes of the composition dependence of the Manning factor (which characterizes the interrelation between the collective and single-particle diffusion) and the enthalpy of mixing in Ni-Al melts is brought to attention. Meanwhile, our results for the reduced heat of transport (which characterizes the pure heat conduction initiated by collective diffusion in isothermal conditions) allow us to predict that, in Ni-Al melts, Ni and Al tend to migrate, respectively, to the cold and hot ends in the presence of a temperature gradient. Overall, we highlight a great importance of the presented study for developing and testing of theoretical frameworks to enable sophisticated control of the heat and mass transport in binary melts.

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