O. El Atwani H. T. Vo M. A. Tunes C. Lee A. Alvarado N. Krienke J. D. Poplawsky A. A. Kohnert J. Gigax W.-Y. Chen M. Li Y. Q. Wang J. S. Wróbel D. Nguyen-Manh J. K. S. Baldwin O. U. Tukac E. Aydogan S. Fensin E. Martinez
In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission & fusion reactors, space applications, etc.), design, prediction and control of advanced materials beyond current material designs become paramount. Here, through a combined experimental and simulation methodol…
PublishedAndrew M. Alvarado Chanho Lee Jan S. Wróbel Damian Sobieraj Duc Nguyen-Manh Jonathan D. Poplawsky Saryu Jindal Fensin Enrique Martinez Osman El-Atwani
Short-range order (SRO) in multicomponent concentrated alloys affects their mechanical response. Hence, is paramount to understand how composition modifies the chemical ordering in the system to design materials with optimal properties. We present here a methodology to predict the SRO and thermodynamic properties in chemically complex systems and a…
PurchaseMatthew J. Lloyd Jack Haley Bethany Jim Robert Abernethy Mark R. Gilbert Enrique Martinez Osman El-Atwani Duc Nguyen-Manh Michael P. Moody Paul A. J, Bagot David E. J. Armstrong
In this study, we compare the formation of radiation induced defects in W and W-Re-Os alloys, exposed to an equivalent dose of self-ion and neutron irradiation. Transmutation reactions in the neutron irradiated material are simulated in the ion implanted materials by alloying with representative quantities of Re and Os (1.4 and 0.1 at.% respecti…
PublishedM. Boleininger S. L. Dudarev D. R. Mason E. Martínez
We derive a simple analytical line integral expression for the relaxation volume tensor of an arbitrary interconnected dislocation network. This quantity determines the magnitude of dislocation contribution to the dimensional changes and volumetric swelling of a material, and highlights the fundamental dual role of dislocations as sources of intern…
Preprint PublishedO. El Atwani H.T. Vo M. Tunes C. Lee A. Alvarado N. Krienke J. Poplawsky A.A. Kohnert J. Gigax W.-Y. Chen M. Li Y. Wang J.S. Wróbel Duc Nguyen-Manh J.K.S. Baldwin U. Tukac E. Aydogan S. Fensin E. Martinez
In the quest of new materials that can withstand severe irradiation and mechanical extremes for advanced applications (e.g. fission reactors, fusion devices, space applications, etc), design, prediction and control of advanced materials beyond current material designs become a paramount goal. Here, though a combined experimental and simula…
PreprintAndrew M. Alvarado Hi Vo Tin Jan S. Wr´obel Damian Sobieraj Duc Nguyen-Manh Saryu Jindal Fensin Enrique Martinez Osman El-Atwani
We present a Density Functional Theory-based cluster expansion model to predict the configurational energy of a multicomponent W-Ta-Cr-V-Hf quinary alloy. Coupled with Monte Carlo simulations we show that the model reproduces experimental observations. We analyze the thermodynamic properties of the W.31Ta.34Cr.05V.27Hf.03 system and observe two ph…
PreprintK. Arakawa Z. Bergstrom M.J. Caturla S.L. Dudarev F. Gao M.R. Gilbert A.M. Goryaeva S.Y. Hu X. Hu R.J. Kurtz A. Litnovsky J. Marian M.-C. Marinica E. Martinez E.A. Marquis D.R. Mason B.N. Nguyen P. Olsson Y. Osetskiy D. Senor
Prediction of material performance in fusion reactor environments relies on computational modelling, and will continue to do so until the first generation of fusion power plants come on line and allow long-term behaviour to be observed. In the meantime, the modelling is supported by experiments that attempt to replicate some aspects of the eventua…
Preprint PublishedM. J. Lloyd A. J. London M. Gilbert C. S. Becquart C. Domain E. Martinez M. Moody P. A. J. Bagot D. Nguyen-Manh D.E. J. Armstrong
Tungsten is one the primary candidate materials for the high neutron flux, high temperature components of a future demonstrate fusion reactor. Despite this, there is a lack of data on W under fusion relevant neutron doses and irradiation temperatures. Transmutation reactions result in the production of Re and Os solute atoms, at a rate which is …
Preprint PublishedM. J. Lloyd E. Martinez L. Messina D. Nguyen-Manh
In this study, radiation-induced precipitation of transmutation products is addressed via the development of a new solute and vacancy concentration dependant Ising model for the W-Re-Os system. This new model includes interactions between both Os and Re atoms, thus facilitating more representative simulations of transmutation in fusion reactor comp…
Preprint PublishedDamian Sobieraj Jan S. Wróbel Tomasz Rygier Krzysztof J. Kurzydłowski Osman El Atwani Arun Devaraj Enrique Martinez Saez Duc Nguyen-Manh
The development of High-Entropy Alloys (HEAs) focuses on exploring compositional regions in multicomponent systems with all alloy elements in equal or near-equal atomic concentrations. Initially it was based on the main idea that high mixing configurational entropy contributions to the alloy free energy could promote the formation of a single so…
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