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Machine learning thermodynamic perturbation theory (MLPT) is a promising approach to compute finite temperature properties when the goal is to compare several different levels of ab initio theory and/or to apply highly expensive…
Additive manufacturing of Ti-6Al-4V alloy via laser powder-bed fusion leads to non-equilibrium $\alpha'$ martensitic microstructures, with high strength but poor ductility and toughness. These properties may be modified by heat treatments,…
We explore the use of characteristic temperatures derived from molecular dynamics to predict aspects of metallic Glass Forming Ability (GFA). Temperatures derived from cooling curves of self-diffusion, viscosity, and energy were used as…
In context of laser powder bed fusion (L-PBF), it is known that the properties of the final fabricated product highly depend on the temperature distribution and its gradient over the manufacturing plate. In this paper, we propose a novel…
The large magnetocaloric effect (MCE) observed in Ni-Mn based shape-memory Heusler alloys put them forward to use in magnetic refrigeration technology. It is associated with a first-order magnetostructural (martensitic) phase transition. We…
Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…
With the support of Internet of Things (IoT) devices, it is possible to acquire data from degradation phenomena and design data-driven models to perform anomaly detection in industrial equipment. This approach not only identifies potential…
Additive Manufacturing (AM) is a manufacturing paradigm that builds three-dimensional objects from a computer-aided design model by successively adding material layer by layer. AM has become very popular in the past decade due to its…
Additive friction stir deposition (AFSD) is a novel solid-state additive manufacturing technique that circumvents issues of porosity, cracking, and properties anisotropy that plague traditional powder bed fusion and directed energy…
Superelastic shape-memory alloys (SMAs) are unique smart materials with a considerable energy dissipation potential for dynamic loadings with varying strain-rates. The energy dissipation depends on the latent heat generated by the…
AI models have demonstrated strong predictive capabilities for various tokamak instabilities--including tearing modes (TM), ELMs, and disruptive event--but their opaque nature raises concerns about safety and trustworthiness when applied to…
NiTi is the most used shape-memory alloy, nonetheless, a lack of understanding remains regarding the associated structures and transitions, including their barriers. Using a generalized solid-state nudge elastic band (GSSNEB) method…
Shape adaptive shape memory alloy hybrid composites (SMAHCs) are composites that incorporate shape memory alloys (SMAs) to realize shape transformation. Despite the availability of numerous analytical and finite element models for…
This data set descriptor introduces a structured, high-resolution dataset of transient thermal simulations for a vertical axis of a machine tool test rig. The data set includes temperature and heat flux values recorded at 29 probe locations…
Atomistic simulations of properties of materials at finite temperatures are computationally demanding and require models that are more efficient than the ab initio approaches. Machine learning (ML) and artificial intelligence (AI) address…
Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…
Monitoring the magnet temperature in permanent magnet synchronous motors (PMSMs) for automotive applications is a challenging task for several decades now, as signal injection or sensor-based methods still prove unfeasible in a commercial…
The hydro-mechanical behavior of clay-sulfate rocks, especially their swelling properties, poses significant challenges in geotechnical engineering. This study presents a hybrid constrained machine learning (ML) model developed using the…
Site-specific weather forecasts are essential to accurate prediction of power demand and are consequently of great interest to energy operators. However, weather forecasts from current numerical weather prediction (NWP) models lack the…
Ferromagnetic shape memory alloys Ni$_{2+x}$Mn$_{1-x}$Ga were studied in the range of compositions $0.16 \le x \le 0.36$. Experimental phase diagram, constructed from differential scanning calorimetry, transport and magnetic measurements,…