Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Ab initio variational approach for evaluating lattice thermal
  conductivity   We present a first-principles theoretical approach for evaluating the lattice
thermal conductivity based on the exact solution of the Boltzmann transport
equation. We use the variational principle and the conjugate gradient scheme,
which provide us with an algorithm faster than the one previously used in
literature and able to always converge to the exact solution. Three-phonon
normal and umklapp collision, isotope scattering and border effects are
rigorously treated in the calculation. Good agreement with experimental data
for diamond is found. Moreover we show that by growing more enriched diamond
samples it is possible to achieve values of thermal conductivity up to three
times larger than the commonly observed in isotopically enriched diamond
samples with 99.93% C12 and 0.07 C13.

20
The categories of this paper are: acc-phys
22
The categories of this paper are: chao-dyn
14
The categories of this paper are: math-ph
24
The categories of this paper are: dg-ga
12
The categories of this paper are: nucl-th
1
The categories of this paper are: cs
9
The categories of this paper are: nlin
35
The categories of this paper are: mtrl-th
2
The categories of this paper are: math
15
The categories of this paper are: nucl-ex
19
The categories of this paper are: eess
0
The categories of this paper are: hep-ph
25
The categories of this paper are: patt-sol
37
The categories of this paper are: supr-con
30
The categories of this paper are: q-alg
23
The categories of this paper are: solv-int