Temperature Effects in the thermal conductivity of aligned amorphous Polyethylene -- A molecular Dynamics study

Jivtesh Garg; Rajmohan Muthaiah

REVIEW 2 major objections 5 minor 8 references

Temperature Effects in the thermal conductivity of aligned amorphous Polyethylene -- A molecular Dynamics study

T0 review · 2 major / 5 minor · reviewed 2026-08-14 · deepseek-v4-flash

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Pith's one-line read Stretching amorphous polyethylene shifts the temperature of peak thermal conductivity from 350 K to 100 K.

desk verdict New and likely correct observation that stretching amorphous PE lowers the thermal-conductivity peak temperature, attached to a plausible but under-supported disorder/anharmonicity mechanism. read the letter →

arxiv 1908.04341 v1 pith:QENFY5KB submitted 2019-08-12 cond-mat.mtrl-sci

Rajmohan Muthaiah , Jivtesh Garg This is my paper · ORCID

classification cond-mat.mtrl-sci

keywords thermalconductivityamorphouspolyethylenemoleculardynamicschainalignmentphononscatteringdisorderanharmonicitystrain

verification ladder T0 review T1 audit T2 compute T3 formal

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The reading

Using molecular dynamics simulations, this paper studies how the thermal conductivity of amorphous polyethylene depends on temperature when the polymer chains are aligned by mechanical strain. The central finding is that the temperature at which conductivity peaks moves steadily downward as strain increases: 350 K for un-oriented PE, 200 K at 100% strain, and 100 K at 400% strain. The paper explains this shift as a crossover between disorder-dominated phonon scattering at low temperatures and anharmonicity-dominated scattering at high temperatures: alignment removes disorder, so the crossover happens at lower temperatures. Evidence comes from modifying the dihedral energy parameters to change the trans/gauche balance, which shifts the peak temperature in the predicted direction. If correct, the results imply that aligned amorphous polymers become comparatively better heat conductors at low temperatures, relevant for sub-ambient thermal management.

What carries the argument

The central object is the phonon scattering rate, written as $1/\tau_k = (1/\tau_k)_{\mathrm{disorder}} + (1/\tau_k)_{\mathrm{anharmonicity}}$. Disorder scattering is nearly temperature-independent, while anharmonic scattering grows roughly linearly with temperature; thermal conductivity of a mode is proportional to specific heat times group velocity squared times lifetime, so conductivity rises with temperature while disorder dominates (because specific heat increases) and falls once anharmonicity dominates. The crossover temperature is the peak temperature, and alignment reduces disorder so the crossover occurs at lower temperature. The controlled probe is the dihedral energy parameters, which alter the trans/gauche ratio and hence disorder without, the paper argues, changing the bond-stiffness-controlled vibrational frequencies.

What would settle it

Compute the phonon density of states for the original and modified-dihedral polymers; if the vibrational spectrum shifts appreciably, the claim that dihedral changes isolate disorder fails. Alternatively, in a simulation where the aligned chain conformation is held fixed while the dihedral parameters are changed, any change in thermal conductivity would indicate a non-disorder effect.

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Extended reading notes

Core claim

The paper reports a systematic downward shift in the temperature at which thermal conductivity peaks as amorphous polyethylene is stretched: from 350 K unstrained to 200 K at 100% strain and 100 K at 400% strain. It attributes this to a crossover between disorder-dominated and anharmonicity-dominated phonon scattering: strain aligns chains, reduces disorder, so the temperature at which anharmonic scattering overtakes disorder scattering falls. Supporting evidence comes from modifying dihedral potential parameters to change the trans/gauche balance: added disorder moves the peak from 100 K to 150 K at 400% strain, and reduced disorder moves it from 200 K to 150 K at 100% strain.

Load-bearing premise

The manipulation-of-disorder experiment assumes that changing the dihedral energy parameters alters only chain disorder, not the vibrational frequencies or anharmonicity that also control thermal conductivity.

Editorial extensions

If this is right

Aligned amorphous PE conducts relatively better at low temperatures: stretching to 400% gives an 18-fold enhancement at 200 K versus a 6.5-fold enhancement at 350 K.
The temperature of peak conductivity is tunable by strain, roughly 350 K at 0% strain, 200 K at 100% strain, and 100 K at 400% strain.
The disorder-to-anharmonicity crossover explains why the peak shifts, and it predicts that increasing disorder raises the peak temperature while reducing disorder lowers it.
Strained amorphous PE could be a candidate for sub-ambient heat exchangers and cryogenic thermal management because its conductivity advantage grows as temperature falls.

Reading between the lines

Editorial extensions of the paper, not claims the author makes directly.

The crossover picture implies a direct test: extract phonon lifetimes from normal-mode analysis and check that the temperature where anharmonic scattering overtakes disorder scattering matches the peak temperature at each strain.
A natural extension would apply the same dihedral-parameter perturbation to other amorphous polymers; if the mechanism is general, suppressing gauche conformations should lower the peak temperature for any chain-aligned system.
Extrapolating the trend, very high draw ratios should push the peak temperature below 50 K, possibly making the peak invisible in the simulated temperature window; this is a testable prediction for longer simulations or experiments.

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Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Desk Editor's Note

read the letter

You should know two things before reading this one. First, the headline result is real and new: in amorphous PE, the temperature where thermal conductivity peaks drops from 350 K unstrained to 200 K at 100% strain and 100 K at 400%. That's a clean, monotonic trend in Fig. 3, with error bars from multiple starting configurations, and it's not in the prior MD literature they cite. Second, the mechanistic explanation, a crossover from disorder-dominated to anharmonicity-dominated phonon scattering, is plausible but not as well supported as the paper claims. The dihedral-modification test meant to validate it has a confound.

The paper does several things well. The system preparation is careful (equilibration, quenching, NPT drawing), they check finite-size effects, and they report orientational order parameter to show strain aligns chains. The comparison to polythiophene data is a nice touch. The core observation—that large strain shifts Tpeak downward—is exactly the kind of design rule for low-temperature polymer thermal management that the community will want to know about.

The soft spot is in Section IV. The authors argue that changing dihedral parameters only changes disorder because dihedral energy coefficients (~0.1 kcal/mol) are tiny compared to bond terms (~345 kcal/mol). But vibrational frequencies are set by the curvature of the potential, not the absolute energy scale. At the trans minimum, the second derivative of the COMPASS dihedral function changes by a factor of 2.3 for their 'increased disorder' parameters (from ~1.5 to ~3.5 kcal/mol/rad²). That will shift low-frequency torsional/librational modes by tens of percent, and those modes carry heat in amorphous polymers. So the modified runs almost certainly change the phonon spectrum and anharmonicity, not just disorder. The directional agreement (more disorder → higher Tpeak, less → lower) is encouraging, but it doesn't uniquely pin down the disorder mechanism.

Also, Fig. 7 reports no error bars for the modified-parameter runs, so the 50 K shifts could be noisy. The paper also stops short of computing phonon lifetimes, so the crossover story remains inferred.

Those are real limitations, but they don't sink the central observation. The Tpeak-strain trend is there regardless of the mechanism, and the size-effect check is reassuring. I'd send this to peer review. A good referee should push for either a cleaner test of disorder (e.g., removing torsional modes' contribution or comparing against a disordered structure with the same potential) or a clearly softened mechanistic claim. As is, it's a solid computational data set with an over-interpreted validation, and the community will benefit from the observation even if the mechanism needs another pass.

Referee Report

2 major / 5 minor

Summary. This paper uses reverse non-equilibrium molecular dynamics (RNEMD) simulations with the COMPASS force field to study the temperature dependence of thermal conductivity (k) of amorphous polyethylene (PE) under uniaxial strains from 0% to 400% and temperatures from 50 to 400 K. The central observation is that the temperature at which k peaks (T_peak) shifts monotonically downward with increasing strain: from 350 K for unstrained PE to 200 K at 100% strain and 100 K at 400% strain. The authors interpret this as a crossover from disorder-dominated to anharmonicity-dominated phonon transport, arguing that increasing strain reduces structural disorder, so that anharmonic scattering becomes dominant at lower temperatures. To support this mechanism, they modify the C-C-C-C dihedral potential parameters to increase or decrease disorder and find that T_peak shifts upward with increased disorder and downward with decreased disorder, in qualitative agreement with their prediction.

Significance. If the result stands, the paper provides a clear, systematic MD dataset showing a strong strain-induced shift of T_peak in amorphous PE, with potential implications for low-temperature polymer thermal management. The study is carefully executed in terms of structure preparation, equilibration, and size-effect checks (peak position unchanged for a smaller system). The directional test using modified dihedral parameters is a clever attempt at a mechanistic validation, and the observed T_peak shifts are qualitatively consistent. However, the paper does not provide direct phonon-level evidence (lifetimes, group velocities, or mode-resolved conductivities) for the proposed disorder-to-anharmonicity crossover, and the dihedral-parameter validation is undermined by a quantitative issue with the torsional force constant, as detailed below.

major comments (2)

[Section IV, dihedral energy expression and Fig. 7] The validation in Section IV rests on the claim that changing dihedral energy parameters changes only disorder without significantly affecting vibrational frequencies, based on the small magnitude of dihedral coefficients (~0.1 kcal/mol) relative to bond coefficients (~345 kcal/mol). This argument is invalid because vibrational frequencies depend on the curvature of the potential, not on the absolute energy scale. Evaluating the second derivative of the COMPASS dihedral potential E = K1(1-cos φ) + K2(1-cos 2φ) + K3(1-cos 3φ) at the trans minimum (φ = 180°) gives d²E/dφ² = 4K2 - 9K3. Using the original parameters (K2 = 0.054, K3 = -0.143) yields 1.50 kcal/mol/rad², while the 'increased disorder' parameters (K2 = -0.1, K3 = -0.43) yield 3.47 kcal/mol/rad², and the 'decreased disorder' parameters (K2 = 0.1, K3 = -0.072) yield 1.05 kcal/mol/rad². The resulting factor-of-2.3 change in torsional force constant shifts low-frequency torsional mode frequencies by up to ~50%, and such modes contribute to heat transport in amorphous polymers. Consequently, the modified runs do not isolate disorder; they also alter the phonon spectrum and the anharmonicity of the torsional potential. Because the central mechanistic claim is validated only by these runs (Fig. 7 reports no error bars for the 50 K T_peak shifts), the evidence for the disorder-to-anharmonicity crossover is not yet established.
[Sections III and IV] The proposed mechanism is inferred rather than directly measured. The paper invokes the standard expression 1/τ_k = (1/τ_k)_disorder + (1/τ_k)_anharmonicity with temperature-independent disorder scattering and anharmonic scattering that increases with T, but it never computes phonon lifetimes, group velocities, or mode-resolved contributions to k. While the monotonic T_peak shift with strain is an interesting and well-documented observation, the attribution to a crossover from disorder to anharmonicity remains a plausible hypothesis. A direct analysis (e.g., normal-mode decomposition or phonon-lifetime calculations at representative strains and temperatures) would be needed to confirm that the peak shift arises from changes in scattering rates rather than from temperature-dependent morphological changes, thermal expansion, or specific-heat variations. This gap is particularly important because the only attempted validation (modified dihedral runs) does not cleanly isolate disorder, as argued above.

minor comments (5)

[Fig. 7] Figure 7 shows the T_peak shifts between original and modified dihedral runs but does not report error bars. Since the observed shifts are only 50 K, error estimates (from multiple starting configurations, as in Fig. 3) are needed to establish statistical significance.
[Introduction] There is a typographical artifact in the text: 'k of bulk PE (/C240.5 W/mK)' should presumably read '≈0.5 W/mK'.
[References] Reference 11 lists 'C. Oilgchleger' but the correct spelling is 'C. Oligschleger'.
[Section II and strain definition] The strain values (up to 400%) are not explicitly defined as engineering or true strain. Please specify the strain measure used in the deformation simulations, as this affects the comparison with experiments and prior work.
[Section IV, polythiophene comparison] The comparison with chain-oriented amorphous polythiophene attributes long-range order in strained PE to the observed decreasing k at higher T, but no quantitative order metric (e.g., P2 values or correlation lengths) is given for the polythiophene case, making the comparison informal.

Circularity Check

0 steps flagged · score 0.0 of 10

No significant circularity: the Tpeak shift is an observed MD result, and the disorder-modification test is a falsifiable check, not a fit or self-referential derivation.

full rationale

The paper's central claim that Tpeak decreases with increasing strain is directly read from non-equilibrium MD simulations (Fig. 3), not obtained by fitting the proposed disorder/anharmonicity model to the data. The explanatory mechanism is then tested by altering dihedral parameters to change disorder and observing whether Tpeak shifts in the predicted direction: increasing disorder shifts Tpeak from 100 K to 150 K, and decreasing disorder shifts it from 200 K to 150 K. These are independent checks that could have failed, so the validation is not circular. No equation in the paper defines Tpeak in terms of the disorder parameter, and no fitted parameter is renamed as a prediction. The only self-citation involving an author of the present paper (ref. 7, Saeidijavash et al., with co-author Garg) appears in the introduction as background on aligned polymer nanocomposites and is not load-bearing for the temperature-dependence claim. The assumption that changing dihedral parameters affects only disorder and not vibrational frequencies (Section IV) is a correctness risk, not a circularity: even if the assumption is false, the derivation does not reduce to its own inputs by construction. The paper is self-contained against external MD force fields, experimental benchmarks, and prior simulation results, so the circularity score is 0.

Assumptions & free parameters 2 free parameters · 5 assumptions · 0 invented entities

The central claim relies on standard MD and force-field assumptions plus a textbook phonon-scattering model. The only hand-picked inputs are the modified dihedral parameters used for the validation runs. No new particles, forces, or conserved quantities are introduced.

free parameters (2)

Modified dihedral K2, K3 for increased disorder = K1=0, K2=-0.1 kcal/mol, K3=-0.43 kcal/mol
Chosen by hand to lower the gauche energy and increase the gauche fraction in the 400% strained sample. Used as a validation input, not fitted to the Tpeak data, but the validation result depends on this choice.
Modified dihedral K2, K3 for decreased disorder = K1=0, K2=0.1 kcal/mol, K3=-0.072 kcal/mol
Chosen by hand to raise the gauche energy and reduce the gauche fraction in the 100% strained sample. Again an input, not fitted to the data.

assumptions (5)

domain assumption The COMPASS force field accurately represents the interatomic interactions needed to compute PE thermal conductivity.
Used throughout Section II; if inaccurate, the absolute k values and the Tpeak locations could shift.
domain assumption Classical MD with RNEMD yields reliable thermal conductivity in the 50-400 K range.
The paper uses classical MD without quantum corrections; low-temperature specific heat behavior may not match quantum values, which is relevant to the disorder-regime interpretation.
domain assumption Phonon scattering obeys Matthiessen's rule with disorder scattering temperature-independent and anharmonic scattering proportional to temperature.
Section IV invokes this textbook model to explain Tpeak; it is not directly verified with phonon lifetime calculations.
domain assumption The temperature of peak k marks the crossover from disorder-dominated to anharmonicity-dominated phonon transport.
Section IV assumes k peaks when the two scattering rates cross; this is the explanatory bridge connecting the data to the mechanism.
ad hoc to paper Changing dihedral energy parameters changes disorder without significantly changing phonon frequencies or anharmonicity.
Section IV claims dihedral energies are much smaller than bond energies, so frequencies are unaffected. This isolation is load-bearing for the validation experiment but is not directly tested.

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Pith. "Pith review of Temperature Effects in the thermal conductivity of aligned amorphous Polyethylene -- A molecular Dynamics study." pith.science (2026). https://pith.science/paper/QENFY5KB

@misc{pith2026190804341,
  author       = {Pith},
  title        = {Pith review of: Temperature Effects in the thermal conductivity of aligned amorphous Polyethylene -- A molecular Dynamics study},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/QENFY5KB}},
  note         = {Machine review of arXiv:1908.04341}
}

read the original abstract

We analyze, through molecular dynamics simulations, the temperature dependence of the thermal conductivity (k) of chain-oriented amorphous polyethylene (PE). We find that at increasing levels of orientation, the temperature corresponding to a peak k progressively decreases. Un-oriented PE exhibits the peak k at 350 K, while aligned PE under an applied strain of 400% shows a maximum at 100 K. This transition of peak k to lower temperatures with increasing alignment is explained in terms of a crossover from disorder to anharmonicity dominated phonon transport in aligned polymers. Evidence for this crossover is achieved by manipulating the disorder in the polymer structure and studying the resulting change in temperature corresponding to peak k. Disorder is modified through a change in the dihedral parameters of the potential function, allowing a change in the relative fraction of trans and gauche transformations. The results shed light on the underlying thermal transport processes in aligned polymers and hold importance for low temperature applications of polymer materials in thermal management technologies.

Figures

Figures reproduced from arXiv: 1908.04341 by the authors.

**Figure 2.** FIG. 2. Typical temperature profile obtained from NEMD simulations. [PITH_FULL_IMAGE:figures/full_fig_p004_2.png] view at source ↗

**Figure 3.** FIG. 3. Variation of thermal conductivity of amorphous polyethylene with [PITH_FULL_IMAGE:figures/full_fig_p004_3.png] view at source ↗

Figures from the paper (3 more)

**Figure 5.** Figure 5: FIG. 5. Dihedral energy for the original COMPASS potential and for modi [PITH_FULL_IMAGE:figures/full_fig_p005_5.png]

**Figure 6.** Figure 6: FIG. 6. Distribution of dihedral angles for modified and original dihedral [PITH_FULL_IMAGE:figures/full_fig_p006_6.png]

**Figure 7.** Figure 7: (as open triangles). The k value for the new set of parameters is found to be higher compared to the original COMPASS potential, as expected for a system with lower disorder. Again, while k through the original parameters reached the peak at 200 K, the k using modified…

Discussion (0). Continue with ORCID to comment.

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Works this paper leans on

8 extracted references · 7 canonical work pages

[1]

Temperature effects in the thermal conductivity of aligned amorphous polyethylene—A molecular dynamics study Rajmohan Muthaiah, and Jivtesh Garg Citation: Journal of Applied Physics 124, 105102 (2018); doi: 10.1063/1.5041000 View online: https://doi.org/10.1063/1.5041000 View Table of Contents: http://aip.scitation.org/toc/jap/124/10 Published by the Amer...

work page doi:10.1063/1.5041000 2018
[3]

105102-2 R

Structure preparation of amor- phous polyethylene and its alignment through application of strain. 105102-2 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) terms of increasing alignment of the dominant heat conduct- ing C-C covalent bonds in each polymer chain with the direction of heat transfer. Such polymer chain alignment, typically character...

work page 2018
[4]

105102-3 R

Increase in the orientation parameter P2 with strain at different temperatures. 105102-3 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) (1/sk)anharmonicity of polymer chains, 21 1/sk ¼ (1/sk)disorder þ (1/sk)anharmonicity. Disorder scattering involves the scattering of phonons from abrupt changes in the chain orientation and across polymer chai...

work page 2018
[5]

Polymer ﬁlm heat exchanger for seawater desalination: Prevention and cleaning of fouling deposits,

Dihedral energy for the original COMPASS potential and for modi- ﬁed dihedral parameters. 105102-4 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) of temperature. The results are shown in Fig. 7 (values for the original and modiﬁed dihedral parameters are shown by solid and open squares, respectively). First, it is noticed that compared to k com...

work page 2018
[7]

105102-5 R

Temperature dependence of k of amorphous PE with modiﬁed and original dihedral parameters for strains of 100% and 400%. 105102-5 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) Budapest, Hungary, edited by H. Muller-Steinhagen, A. P. Watkinson, and M. R. Malayeri (2013), p

work page 2018
[296]

Thermal analysis of polymer heat exchangers for solar water heating: A case study,

2W. Liu, J. Davidson, and S. Mantell, “Thermal analysis of polymer heat exchangers for solar water heating: A case study,” J. Sol. Energy Eng. 122, 84 (2000). 3S. Mallik, N. Ekere, C. Best, and R. Bhatti, “Investigation of thermal man- agement materials for automotive electronic control units,” Appl. Therm. Eng. 31, 355 (2011). 4X. Lu and G. Xu, “Thermall...

work page 2000
[2014]

Thermal conductivity of oriented crystalline polymers,

9C. L. Choy, F. C. Chen, and W. H. Luk, “Thermal conductivity of oriented crystalline polymers,” J. Polym. Sci.: Polym. Phys. 18, 1187–1207 (1980). 10V .S i n g h ,T .L .B o u g h e r ,A .W e a t h e r s ,Y .C a i ,K .B i ,M .T .P e t t e s ,S .A . McMenamin, W. Lv, D. P. Resler, T. R. Gattuso, D. H. Altman, K. H. Sandhage, L. Shi, A. Henry, and B. A. Col...

work page 1980
[2018]

We ﬁnd that at increasing levels of orientation, the temperature corresponding to a peak k progressively decreases

We analyze, through molecular dynamics simulations, the temperature dependence of the thermal conductivity ( k) of chain-oriented amorphous polyethylene (PE). We ﬁnd that at increasing levels of orientation, the temperature corresponding to a peak k progressively decreases. Un-oriented PE exhibits the peak k at 350 K, while aligned PE under an applied str...

2018

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Reviewed August 14, 2026 · model on record in the stance chip above.

[1] [1]

Temperature effects in the thermal conductivity of aligned amorphous polyethylene—A molecular dynamics study Rajmohan Muthaiah, and Jivtesh Garg Citation: Journal of Applied Physics 124, 105102 (2018); doi: 10.1063/1.5041000 View online: https://doi.org/10.1063/1.5041000 View Table of Contents: http://aip.scitation.org/toc/jap/124/10 Published by the Amer...

work page doi:10.1063/1.5041000 2018

[2] [3]

105102-2 R

Structure preparation of amor- phous polyethylene and its alignment through application of strain. 105102-2 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) terms of increasing alignment of the dominant heat conduct- ing C-C covalent bonds in each polymer chain with the direction of heat transfer. Such polymer chain alignment, typically character...

work page 2018

[3] [4]

105102-3 R

Increase in the orientation parameter P2 with strain at different temperatures. 105102-3 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) (1/sk)anharmonicity of polymer chains, 21 1/sk ¼ (1/sk)disorder þ (1/sk)anharmonicity. Disorder scattering involves the scattering of phonons from abrupt changes in the chain orientation and across polymer chai...

work page 2018

[4] [5]

Polymer ﬁlm heat exchanger for seawater desalination: Prevention and cleaning of fouling deposits,

Dihedral energy for the original COMPASS potential and for modi- ﬁed dihedral parameters. 105102-4 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) of temperature. The results are shown in Fig. 7 (values for the original and modiﬁed dihedral parameters are shown by solid and open squares, respectively). First, it is noticed that compared to k com...

work page 2018

[5] [7]

105102-5 R

Temperature dependence of k of amorphous PE with modiﬁed and original dihedral parameters for strains of 100% and 400%. 105102-5 R. Muthaiah and J. Garg J. Appl. Phys. 124, 105102 (2018) Budapest, Hungary, edited by H. Muller-Steinhagen, A. P. Watkinson, and M. R. Malayeri (2013), p

work page 2018

[6] [296]

Thermal analysis of polymer heat exchangers for solar water heating: A case study,

2W. Liu, J. Davidson, and S. Mantell, “Thermal analysis of polymer heat exchangers for solar water heating: A case study,” J. Sol. Energy Eng. 122, 84 (2000). 3S. Mallik, N. Ekere, C. Best, and R. Bhatti, “Investigation of thermal man- agement materials for automotive electronic control units,” Appl. Therm. Eng. 31, 355 (2011). 4X. Lu and G. Xu, “Thermall...

work page 2000

[7] [2014]

Thermal conductivity of oriented crystalline polymers,

9C. L. Choy, F. C. Chen, and W. H. Luk, “Thermal conductivity of oriented crystalline polymers,” J. Polym. Sci.: Polym. Phys. 18, 1187–1207 (1980). 10V .S i n g h ,T .L .B o u g h e r ,A .W e a t h e r s ,Y .C a i ,K .B i ,M .T .P e t t e s ,S .A . McMenamin, W. Lv, D. P. Resler, T. R. Gattuso, D. H. Altman, K. H. Sandhage, L. Shi, A. Henry, and B. A. Col...

work page 1980

[8] [2018]

We ﬁnd that at increasing levels of orientation, the temperature corresponding to a peak k progressively decreases

We analyze, through molecular dynamics simulations, the temperature dependence of the thermal conductivity ( k) of chain-oriented amorphous polyethylene (PE). We ﬁnd that at increasing levels of orientation, the temperature corresponding to a peak k progressively decreases. Un-oriented PE exhibits the peak k at 350 K, while aligned PE under an applied str...

2018