Abstract:Energy transfer in small nano-sized systems can be very different from that in their macroscopic counterparts due to reduced dimensionality, interaction with surfaces, disorder, and large fluctuations. Those ingredients may induce non-diffusive heat transfer that requires to be taken into account on small scales. We provide an overview of the recent advances in this field from the points of view of nonequilibrium statistical mechanics and atomistic simulations. We summarize the underlying basic properties lead… Show more
“…We further consider the influence of defects (point defects or line defects) and of applied stress, both in the case that the defects are fixed and in the case they may move [41][42][43][44][45][46][47][48][49][50][51][52][53][54]. These topics have received a further impetus with the possibility of nanomanipulation of the systems by means of nanotechnology techniques; to describe heat transport in such nanosystems, one must go beyond Fourier's law, which is a very active practical and theoretical topic [55][56][57][58][59][60][61][62][63][64][65][66][67][68][69].…”
In this review, we discuss a nonequilibrium thermodynamic theory for heat transport in superlattices, graded systems, and thermal metamaterials with defects. The aim is to provide researchers in nonequilibrium thermodynamics as well as material scientists with a framework to consider in a systematic way several nonequilibrium questions about current developments, which are fostering new aims in heat transport, and the techniques for achieving them, for instance, defect engineering, dislocation engineering, stress engineering, phonon engineering, and nanoengineering. We also suggest some new applications in the particular case of mobile defects.
“…We further consider the influence of defects (point defects or line defects) and of applied stress, both in the case that the defects are fixed and in the case they may move [41][42][43][44][45][46][47][48][49][50][51][52][53][54]. These topics have received a further impetus with the possibility of nanomanipulation of the systems by means of nanotechnology techniques; to describe heat transport in such nanosystems, one must go beyond Fourier's law, which is a very active practical and theoretical topic [55][56][57][58][59][60][61][62][63][64][65][66][67][68][69].…”
In this review, we discuss a nonequilibrium thermodynamic theory for heat transport in superlattices, graded systems, and thermal metamaterials with defects. The aim is to provide researchers in nonequilibrium thermodynamics as well as material scientists with a framework to consider in a systematic way several nonequilibrium questions about current developments, which are fostering new aims in heat transport, and the techniques for achieving them, for instance, defect engineering, dislocation engineering, stress engineering, phonon engineering, and nanoengineering. We also suggest some new applications in the particular case of mobile defects.
“…Recently, a first-principles molecular dynamics approach, coupled with linear response theory, allowed the efficient calculation of heat transport coefficients for bulk (macroscopic) systems. − However, such an approach rests on the diffusive mechanism, which is typical of the classical Fourier law for heat transport; hence, it is not suitable for a nanometer-scale problem. Theoretical investigations on non-Fourier heat transport at the nanoscale have been recently reviewed. , Nevertheless, most of these studies were mainly focused on simple low-dimensionality systemssuch as, e.g., atomic or molecular one-dimensional chains, or graphene-like two-dimensional structureswhile, conversely, both the system and the process considered in the present study are quite complex. Indeed, the system is a magnetic NP covalently linked to the APTES anchoring group and solvated by water, i.e., a nanosized three-dimensional magnet exhibiting a solid–liquid interface.…”
Magnetic iron oxide
nanoparticles (IONPs) have gained
momentum
in the field of biomedical applications. They can be remotely heated
via alternating magnetic fields, and such heat can be transferred
from the IONPs to the local environment. However, the microscopic
mechanism of heat transfer is still debated. By X-ray total scattering
experiments and first-principles simulations, we show how such heat
transfer can occur. After establishing structural and microstructural
properties of the maghemite phase of the IONPs, we built a maghemite
model functionalized with aminoalkoxysilane, a molecule used to anchor
(bio)molecules to oxide surfaces. By a linear response theory approach,
we reveal that a resonance mechanism is responsible for the heat transfer
from the IONPs to the surroundings. Heat transfer occurs not only
via covalent linkages with the IONP but also through the solvent hydrogen-bond
network. This result may pave the way to exploit the directional control
of the heat flow from the IONPs to the anchored moleculesi.e.,
antibiotics, therapeutics, and enzymesfor their activation
or release in a broader range of medical and industrial applications.
“…This discrepancy lacks a definitive explanation at present. Nevertheless, it is worth noting that in the past decade, there have been reports of the breakdown of the classical Fourier law at the microscale and nanoscale, which has prompted intense investigation. , …”
mentioning
confidence: 99%
“…Nevertheless, it is worth noting that in the past decade, there have been reports of the breakdown of the classical Fourier law at the microscale and nanoscale, which has prompted intense investigation. 16,17 For further insight into this debate, we have provided a detailed account in Section I of the Supporting Information of our paper.…”
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