Debye Temperature and Quantum Diffusion of Hydrogen in Body-Centered Cubic Metals

被引：5

作者：

Vykhodets, Vladimir ^{[2
]}

Nefedova, Olga ^{[1
]}

Kurennykh, Tatiana ^{[2
]}

Obukhov, Sviatoslav ^{[2
]}

Vykhodets, Evgenia ^{[3
]}

机构：

[1] Inst Engn Sci UB RAS, Ekaterinburg 620049, Russia

[2] Inst Met Phys UB RAS, Ekaterinburg 620049, Russia

[3] Ural Fed Univ, Ekaterinburg 620002, Russia

来源：

ACS OMEGA | 2022年 / 7卷 / 10期

关键词：

TRITIUM DIFFUSION; DEUTERIUM; ATOMS;

D O I：

10.1021/acsomega.1c05902

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Diffusion of deuterium in potassium is studied herein. Mass transfer is controlled predominantly by the mechanism of overbarrier atomic jumps at temperatures 120-260 K and by the tunneling mechanism at 90-120 K. These results together with literature data allowed us to determine conditions under which the quantum diffusion of hydrogen in metals can be observed, which is a fundamental problem. It is established that in metals with a body-centered cubic lattice tunneling can be observed only at temperatures below the Debye temperature theta(D) solely for metals with theta(D) < 350 K. Predictions are made for metals in which quantum diffusion of hydrogen can be experimentally registered. Metals for which such results cannot be obtained are specified as well. Among them are important engineering materials such as alpha-Fe, W, Mo, V, and Cr.

引用

页码：8385 / 8390

页数：6

共 29 条

[1] DIFFUSIVITY OF HYDROGEN IN PURE IRON
BRYAN, WL
DODGE, BF
[J]. AICHE JOURNAL, 1963, 9 (02) : 223 - 228
[2] Diffusion of hydrogen on Ni(111) over a wide range of temperature: Exploring quantum diffusion on metals
Cao, GX
Nabighian, E
Zhu, XD
[J]. PHYSICAL REVIEW LETTERS, 1997, 79 (19) : 3696 - 3699
[3] First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel
Di Stefano, Davide
Mrovec, Matous
Elsaesser, Christian
[J]. PHYSICAL REVIEW B, 2015, 92 (22)
[4] SMALL-POLARONIC DIFFUSION OF LIGHT INTERSTITIALS IN BCC METALS
EMIN, D
BASKES, MI
WILSON, WD
[J]. PHYSICAL REVIEW LETTERS, 1979, 42 (12) : 791 - 794
[5] Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals
Fang, Wei
Richardson, Jeremy O.
Chen, Ji
Li, Xin-Zheng
Michaelides, Angelos
[J]. PHYSICAL REVIEW LETTERS, 2017, 119 (12)
[6] Diffusion Rates for Hydrogen on Pd(111) from Molecular Quantum Dynamics Calculations
Firmino, Thiago
Marquardt, Roberto
Gatti, Fabien
Dong, Wei
[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2014, 5 (24): : 4270 - 4274
[7] DIFFUSION-COEFFICIENT OF HYDROGEN IN IRON WITHOUT TRAPPING BY DISLOCATIONS AND IMPURITIES
HAGI, H
[J]. MATERIALS TRANSACTIONS JIM, 1994, 35 (02): : 112 - 117
[8] Quantum Tunneling Enabled Self-Assembly of Hydrogen Atoms on Cu(111)
Jewell, April D.
Peng, Guowen
Mattera, Michael F. G.
Lewis, Emily A.
Murphy, Colin J.
Kyriakou, Georgios
Mavrikakis, Manos
Sykes, E. Charles H.
[J]. ACS NANO, 2012, 6 (11) : 10115 - 10121
[9] Diffusion of interstitial hydrogen into and through bcc Fe from first principles
Jiang, DE
Carter, EA
[J]. PHYSICAL REVIEW B, 2004, 70 (06) : 064102 - 1
[10] Hydrogen in tungsten: Absorption, diffusion, vacancy trapping, and decohesion
Johnson, Donald F.
Carter, Emily A.
[J]. JOURNAL OF MATERIALS RESEARCH, 2010, 25 (02) : 315 - 327

← 1 2 3 →