DSpace at My University: Recent submissions
Now showing items 141-160 of 445
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A thermodynamic evaluation of the Mo-Ni system
A thermodynamic evaluation of the Mo-Ni system is presented. A set of parameters values describing the Gibbs energy of each phase is given. Calculated quantities are compared with experimental data, and the agreement is ... -
Thermodynamic assessment of the Ni-Ti phase diagram
A new assessment of the thermodynamic properties of the stable phases of the Ni-Ti system is presented, based on the experimental thermochemical and phase diagram data from the literature. Suitable sublattice models are ... -
The influence of magnetic and chemical ordering on the phase diagram of Cr–Fe–Ni
A thermodynamic dataset for the ternary system Cr–Fe–Ni which has been reported in the literature for the range from medium to high temperatures has been supplemented with datasets from the binary sub-systems at lower ... -
Thermodynamic assessment of the ordered B2 phase in the Ti–V–Cr–Al quaternary system
Thermodynamic assessment of the ordered B2 phase in the quaternary Ti–V–Cr–Al system is carried out. A set of self-consistent thermodynamic parameters is presented. A two-sublattice model (Al,Cr,Ti,V )0.5: (Al,Cr,Ti,V )0.5 ... -
Thermodynamic evaluation of the Al–V–C system
The Al–V–C system contains the two ternary compounds V2AlC and V4AlC3 which are of considerable interest for high-temperature applications. The system is so far rather sparsely investigated experimentally and melting ... -
Assessment of the Re–Ta binary system
Using the CALPHAD method, the thermodynamic properties of each phase of the Re–Ta system were optimized using the experimental information on the phase diagram and the thermochemical quantities. A consistent set of parameters ... -
Assessment of diffusion mobility for the bcc phase of the Ti–Al–Cr system
Experimental diffusion data in the literature were critically assessed to develop the diffusion mobility for the bcc phase of the Ti–Al–Cr system by means of a DICTRA-type (Diffusion Controlled Transformation) diffusion ... -
AlTaTi
In the present paper a thermodynamic description of the entire ternary Al–Ta–Ti system is proposed, being obtained by CALPHAD modelling. Dedicated experiments were performed in order to complement literature data on phase ... -
Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface
Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a systematic evaluation of ... -
Strain effects on oxygen migration in perovskites: La[Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga]O3
(2016-06-14)Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. ... -
Co-Al-W Diffusion Mobilities
(2016-04)Diffusion couple experiments between various Co-rich face centered cubic (FCC) alloys in the Co-W-Al ternary system have been conducted at 900 °C and 1000 °C. Diffusion coefficients have been extracted for the Co-W binary ... -
Multivariate Analysis of High Through-Put Adhesively Bonded Single Lap Joints: Experimental and Workflow Protocols - Full report
(2016-06-07)An adhesively bonded single lap joint was used to study the effects of coupon thickness, bondline thickness, surface preparation, presence of an overflow fillet, and adhesive type. Gains in the Education of Mathematics and ... -
Al Melting Point Calculation Using SLUSCHI
We provide an example of melting temperature calculations using SLUSCHI (Solid and Liquid in Ultra-Small Coexistence with Hovering Interfaces). -
Woven RVE package for polymer matrix composites
(2016-04-21) -
Ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes
(2016-04-20)Density functional theory calculates the effects of substitutional Al, B, Cu, Mn, Si solutes, and octahedral interstitial C and N solutes on the lattice parameter and elastic stiffness coefficients of bcc Fe at 0 K. We ... -
Antiphase boundary energy of Ni3Al with Ti impurities from Monte Carlo simulations
(2016-04-07){111}<110> antiphase boundary (APB) energy of Ni3Al with varying Ti impurity concentration (x=0.1, 1, 10%) and temperature (T=400, 600, 800, 1000, 1200, 1400, 1600 K) are obtained from cluster expansion and Monte Carlo ... -
Characterization_Data_05Apr16
(2016-04-05)Updated mechanical properties including representative curves for tests completed to date