Yichen Qian Mark R. Gilbert Lucile Dezerald Duc Nguyen-Manh David Cereceda
Tungsten (W) is considered a leading candidate for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield, and low long-term disposal radioactive footprint. H…
PreprintO. 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…
PreprintTay Sparks Duc Nguyen-Manh Pengfei Zheng Jan S. Wróbel Michael Gorley Thomas Connolley Christina Reinhard Yiqiang Wang Biao Cai
Vanadium base alloys represent potentially promising candidate structural materials for use in nuclear fusion reactors due to vanadium’s low activity, high thermal strength, and good swelling resistance. In this work, the mechanical properties of the current frontrunner vanadium base alloy, V-4Cr-4Ti, have been interrogated using in-situ high ene…
Preprint PurchaseIsaac Toda-Caraballo Jan S. Wróbel Duc Nguyen-Manh
In this work, the Universal Equation of States (UES) is revisited and generalised by including ferromagnetic and antiferromagnetic configurations. The energy of a system is calculated by means of three parameters, namely, the energy, volume and corresponding scaling volume (directly related to the bulk modulus) at the local ground state of the corr…
Preprint PurchaseDamian Sobieraj Jan S. Wróbel Mark R. Gilbert Andrey Litnovsky Felix Klein Krzysztof J. Kurzydłowski Duc Nguyen-Manh
W-Cr-Y smart alloys are potential material candidates for plasma facing components due to their protective behaviour during the loss-of-coolant accident (LOCA), while maintaining beneficial properties of W during the normal operation of the fusion power plant. During plasma exposure the lighter alloying elements are preferentially sputtered at t…
PreprintD. Nguyen-Manh J.S. Wrobel M. Klimenkov M.J. Lloyd L. Messina S.L. Dudarev
Understanding how properties of materials change due to nuclear transmutations is a major challenge for the design of structural components for a fusion power plant. In this study, by combining a first-principles matrix Hamiltonian approach with thermodynamic integration we investigate quasisteady state configurations of multi-component alloys, …
PreprintL. Tang F.Q. Jiang J.S. Wróbel B.Liu S. Kabra R.X. Duan J.H. Luan Z.B. Jiao Y.Liu M.M. Attallah D. Nguyen-Manh B. Cai
Multi-component alloys are emerging as promising metallic materials for cryogenic applications for their excellent combination of high ultimate tensile strength and good ductility. But their low yield strength can severely limit their applications. Lattice distortion is emerging as a feasible method in overcoming this dilemma. Here, we investigate …
PreprintA. Litnovsky F. Klein X. Tan J. Schmitz J. W. Coenen C. Linsmeier J. Gonzalez-Julian M. Bram I. Povstugar T. Morgan Y. M. Gasparyan A. Suchkov D. Bachurina D. Nguyen-Manh M. Gilbert D. Sobieraj J. S. Wróbel P. Bittner A. Reuban
Self-passivating Metal Alloys with Reduced Thermo-oxidation (SMART) are under development for the primary application as plasma-facing materials of the first wall in a fusion DEMOnstration power plant (DEMO). SMART materials must combine the suppressed oxidation in case of an accident and an acceptable plasma performance during the regular operatio…
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