The effect of combined electrical and thermal cyclic loading on the mechanical behaviour of HfO2 nanofilm. A molecular dynamics study
by Md Riaz Kayser; Sheikh Fahad Ferdous; Ashfaq Adnan
International Journal of Computational Materials Science and Surface Engineering (IJCMSSE), Vol. 9, No. 3, 2020

Abstract: We present an atomistic computational study of electric field and thermal effects on the mechanical behaviour of memristor material HfO2. Memristor materials are used for neuromorphic computation which promises to decrease energy consumption and improve the efficiency of important computational tasks, such as perception and decision making. In our study, first, the atomistic model of HfO2 is built on a monoclinic lattice structure. Then, tensile tests have been carried out to study its mechanical behaviour. Since the material has non-symmetric crystal structure, we observe varied tensile properties along the x, y and z directions. In addition, the effects of electrical field on mechanical behaviour are studied by varying the electrical field intensity from 0 to 0.3 v/Å gradually. For each case, atomistic snapshots are taken to identify the changes occur in the structure due to the electric field. A significant structural damage on the crystal structure of HfO2 is observed after applying 0.3 v/Å electric field, whereas the structural change is insignificant when the magnitude of the electric field is 0.2 v/Å or less. To understand more about the damage of this material, shear loads are applied in different directions and their responses are studied elaborately in this paper.

Online publication date: Mon, 19-Oct-2020

The full text of this article is only available to individual subscribers or to users at subscribing institutions.

Existing subscribers:
Go to Inderscience Online Journals to access the Full Text of this article.

Pay per view:
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.

Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Computational Materials Science and Surface Engineering (IJCMSSE):
Login with your Inderscience username and password:

    Username:        Password:         

Forgotten your password?

Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.

If you still need assistance, please email