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The Effects of Hydrogen Distribution on the Elastic Properties and Hydrogen-Induced Hardening and Softening of a-Fe
- Source :
- Applied Sciences, Volume 10, Issue 24, Applied Sciences, Vol 10, Iss 8958, p 8958 (2020)
- Publication Year :
- 2020
- Publisher :
- Multidisciplinary Digital Publishing Institute, 2020.
-
Abstract
- In this work, we conducted a high-throughput atomistic simulation of the interstitial solid solutions of hydrogen in a-Fe. The elastic constants and moduli were calculated. Through statistical analysis of structures and results, the influences of the microscopic distribution of hydrogen on the elastic moduli, as well as hydrogen-induced hardening and softening, are discussed. We found that even though the uniformly distributed hydrogen caused slight softening in a-Fe, the distribution of hydrogen at different adjacent positions significantly affected the elastic moduli. For example, hydrogen increased the Young&rsquo<br />s modulus and shear modulus at the 5th and 10th nearest neighbors, resulting in hardening, but decreased the bulk modulus at the 7th nearest neighbor, making the material easier to compress. These phenomena are related to the distribution densities of the positions that hydrogen atoms can occupy on the two major slip families, {110} and {112}, at different nearest neighbors distinguished by distances.
- Subjects :
- Materials science
Hydrogen
Modulus
chemistry.chemical_element
Thermodynamics
02 engineering and technology
01 natural sciences
lcsh:Technology
k-nearest neighbors algorithm
Shear modulus
lcsh:Chemistry
0103 physical sciences
General Materials Science
Physics::Atomic Physics
Instrumentation
Elastic modulus
Softening
lcsh:QH301-705.5
010302 applied physics
Fluid Flow and Transfer Processes
Bulk modulus
lcsh:T
Process Chemistry and Technology
General Engineering
a-Fe
021001 nanoscience & nanotechnology
lcsh:QC1-999
Computer Science Applications
hydrogen distribution
chemistry
lcsh:Biology (General)
lcsh:QD1-999
lcsh:TA1-2040
hardening and softening
Hardening (metallurgy)
0210 nano-technology
lcsh:Engineering (General). Civil engineering (General)
lcsh:Physics
atomistic simulation
Subjects
Details
- Language :
- English
- ISSN :
- 20763417
- Database :
- OpenAIRE
- Journal :
- Applied Sciences
- Accession number :
- edsair.doi.dedup.....41af1bde0ec3700cd20f34ef1b1d68ff
- Full Text :
- https://doi.org/10.3390/app10248958