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The tuning of fused filament fabrication parameters is notoriously challenging. We propose an autonomous data-driven method to select parameters based on in situ measurements. We use a laser sensor to evaluate the surface roughness of a…
We have built an integrated computational platform for material properties at extreme conditions, ProME (Professional Materials at Extremes) v1.0, which enables integrated calculations for multicomponent alloys, covering high temperatures…
Strength, ductility, and failure properties of metals are tailored by plastic deformation routes. Predicting these properties requires modeling of the structural dynamics and stress evolution taking place on several length scales. Progress…
Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…
Data stored in a data warehouse are inherently multidimensional, but most data-pruning techniques (such as iceberg and top-k queries) are unidimensional. However, analysts need to issue multidimensional queries. For example, an analyst may…
Structurally and chemically complex materials such as amorphous metallosilicates underpin major catalytic and separation technologies, yet their intrinsic complexity challenges reliable atomistic modeling under realistic conditions.…
Predictive modelling represents an emerging field that combines existing and novel methodologies aimed to rapidly understand physical mechanisms and concurrently develop new materials, processes and structures. In the current study,…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
As the need for miniaturized structural and functional materials has increased,the need for precise materials characterizaton has also expanded. Nanoindentation is a popular method that can be used to measure material mechanical behavior…
Designing alloys for additive manufacturing (AM) presents significant opportunities. Still, the chemical composition and processing conditions required for printability (ie., their suitability for fabrication via AM) are challenging to…
Current system thermal-hydraulic codes have limited credibility in simulating real plant conditions, especially when the geometry and boundary conditions are extrapolated beyond the range of test facilities. This paper proposes a…
Machine learning (ML) models for electronic structure typically rely on large datasets generated by computationally expensive Kohn-Sham density functional theory calculations, as it is not known a priori which portions of the data are…
Currently, the growth of material data from experiments and simulations is expanding beyond processable amounts. This makes the development of new data-driven methods for the discovery of patterns among multiple lengthscales and time-scales…
Lattice thermal conductivity (TC) of semiconductors is crucial for various applications, ranging from microelectronics to thermoelectrics. Data-driven approach can potentially establish the critical composition-property relationship needed…
Materials databases built from calculations based on density functional approximations play an important role in the discovery of materials with improved properties. Most databases thus constructed rely on the generalized gradient…
The lowering of the energy threshold in the NaI detector is crucial not only for comprehensive validation of DAMA/LIBRA but also for exploring new possibilities in the search for low-mass dark matter and observing coherent elastic…
In material science, models are derived to predict emergent material properties (e.g. elasticity, strength, conductivity) and their relations to processing conditions. A major drawback is the calibration of model parameters that depend on…
Surgical automation can improve the accessibility and consistency of life saving procedures. Most surgeries require separating layers of tissue to access the surgical site, and suturing to reattach incisions. These tasks involve deformable…
We present a novel computational paradigm for process design in manufacturing processes that incorporates simulation responses to optimize manufacturing process parameters in high-dimensional temporal and spatial design spaces. We developed…
Spinning of a common aluminum automotive casting alloy A356 (Al-7Si-0.3 Mg) at elevated temperatures has been investigated experimentally with a novel industrial-scale apparatus. This has permitted the implementation of a fully coupled…