Transport diffusion in one dimensional molecular systems: Power law and validity of Fick’s law

Zhi-cheng Xu; Dong-qin Zheng; Bao-quan Ai; Bambi Hu; Wei-rong Zhong

doi:10.1063/1.4935186

journal article·2015-10-01Open access

Transport diffusion in one dimensional molecular systems: Power law and validity of Fick’s law

Zhi-cheng Xu, Dong-qin Zheng, Bao-quan Ai, Bambi Hu, Wei-rong Zhong

AIP Advances· Volume 5· Issue 10

Publisher page Open full text

Source abstract

Abstract

The transport diffusion in one-dimensional molecular systems is investigated through non-equilibrium molecular dynamics and Monte Carlo methods. We have proposed the power law relationship of the transport diffusion coefficient with the temperature, the mass and the transport length, D* ∝ T*m*−1L*β, where β equals to 0.8 for small systems and zero for large systems. It is found that Fick’s law is valid in long transport length but invalid in short transport length. Our results can provide a new perspective for understanding the microscopic mechanism of the molecular transport phenomena in low-dimensional systems.

Source: crossref · Quality: baseline

Research context

OpenAlex topics: Thermal properties of materials · Quantum and electron transport phenomena · Advanced Thermoelectric Materials and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Jinan University 1 Department of Physics and Siyuan Laboratory, College of Science and Engineering, , Guangzhou 510632, People’s Republic of China

South China Normal University 2 Laboratory of Quantum Engineering and Quantum Materials, ICMP and SPTE, , Guangzhou 510006, China

University of Houston 3 Department of Physics, , Houston, Texas 77204-5005, USA

Funding

Natural Science Foundation of Guangdong Province · PCSIRT · Program for Excellent Talents at the Unvierstiy of Guangdong Province · National Natural Science Foundation of China

References (23)

Show source-provided references

1. Colloid and Polymer Science · 2006 · 284 · 40510.1007/s00396-005-1400-8 ↗

2. energy and buildings · 2012 · 55 · 90310.1016/j.enbuild.2012.09.004 ↗

3. Progress in Polymer Science · 2001 · 26 · 85310.1016/S0079-6700(01)00009-0 ↗

4. Nature · 1966 · 209 · 502410.1038/209670a0 ↗

5. J. Nanobiotechnol. · 2004 · 2 · 310.1186/1477-3155-2-3 ↗

6. Expert Opin Drug Deliv. · 2004 · 1 · 8710.1517/17425247.1.1.87 ↗

7. Phys. Rev. E · 2005 · 72 · 05630110.1103/PhysRevE.72.056301 ↗

8. J. Appl. Phys. · 2005 · 97 · 10491810.1063/1.1901839 ↗

9. 1989

10. Eur. Phys. J. B · 2012 · 85 · 33710.1140/epjb/e2012-30383-8 ↗

11. Nanotechnology · 2013 · 24 · 09570410.1088/0957-4484/24/9/095704 ↗

12. Appl. Phys. Lett. · 2015 · 107 · 02310410.1063/1.4926653 ↗

13. Phys. Rev. Lett. · 1979 · 43 · 65310.1103/PhysRevLett.43.653 ↗

14. Phys. Rev. Lett. · 2001 · 63 · 012105

15. Phys. Rev. Lett. · 1995 · 74 · 246310.1103/PhysRevLett.74.2463 ↗

16. Phys. Rev. Lett. · 2013 · 111 · 11060110.1103/PhysRevLett.111.110601 ↗

17. Phys. Rev. B · 2000 · 62 · 1310410.1103/PhysRevB.62.13104 ↗

18. 1987

19. Phys. Rev. B · 2000 · 62 · 217310.1103/PhysRevB.62.2173 ↗

20. Nano Today · 2010 · 5 · 8510.1016/j.nantod.2010.02.002 ↗

21. Phys. Rev. Lett. · 2000 · 84 · 214410.1103/PhysRevLett.84.2144 ↗

22. Phys. Rev. Lett. · 2006 · 96 · 10060110.1103/PhysRevLett.96.100601 ↗

23. See supplementary material at http://dx.doi.org/10.1063/1.4935186 for the main algorithms, fixing the number of atoms in reservoirs, the stable mass flux, the stable concentration distribution, the impact of the Lennard-Jones parameters and the selection of Lennerd-Jones parameters for rare gases.