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RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…
This study is motivated by the need to develop an efficient numerical model to simulate non-uniform interfacial degradation of reinforcing steel in concrete in an accelerated corrosion setup. In this study, a multi physics finite element…
Driven by the transition towards a climate-neutral energy system, accurate energy time series forecasting is critical for planning and operation. Yet, it remains largely a dataset-specific task, requiring comprehensive training data,…
Refractory multi-principal element alloys (RMPEAs) represent a novel class of alloys characterized by an extensive compositional design space and the potential for exceptional mechanical performance under extreme conditions. While accurate…
In this paper, two fatigue lifetime prediction models are tested on TiAl intermetallic using results from uniaxial low-cycle fatigue tests. Both assessments are based on dissipated energy but one of them considers a hydrostatic pressure…
We present a study of possible predictors based on four supervised machine learning models for the prediction of four mechanical properties of the main industrially used steels. The results were obtained from an experimental database…
There currently exist no quantitative methods to determine the appropriate conditions for solid-state synthesis. This not only hinders the experimental realization of novel materials but also complicates the interpretation and understanding…
The layering approach used in fused filament fabrication (FFF) enables creation of complex designs generated by topology optimization. Defects associated with the layer-by-layer process, introduce considerable random variability to the…
Integrating model-free and model-based approaches in reinforcement learning has the potential to achieve the high performance of model-free algorithms with low sample complexity. However, this is difficult because an imperfect dynamics…
Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…
We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…
We explore the possibilities of using energy minimization for the numerical modeling of strain localization in solids as a sharp discontinuity in the displacement field. For this purpose, we consider (regularized) strong discontinuity…
Nowadays, manufacturing sectors harness the power of machine learning and data science algorithms to make predictions for the optimization of mechanical and microstructure properties of fabricated mechanical components. The application of…
This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…
We introduce structured prediction energy networks (SPENs), a flexible framework for structured prediction. A deep architecture is used to define an energy function of candidate labels, and then predictions are produced by using…
This paper introduces a simple framework for accurately predicting the fatigue lifetime of notched components by employing various machine learning algorithms applied to a wide range of materials, loading conditions, notch geometries, and…
Lifecycle assessment of wind turbines is essential to improve their design and to optimum maintenance plans for preventing failures during the design life. A critical element of wind turbines is the composite blade due to uncertain cyclic…
Fatigue failure driven by stress gradients associated to casting defects was studied in two cast nickel-based superalloys. The experimental campaign revealed complex damage phenomena linked to spongeous shrinkages, characterized by their…
Detecting faults in steel plates is crucial for ensuring the safety and reliability of the structures and industrial equipment. Early detection of faults can prevent further damage and costly repairs. This chapter aims at diagnosing and…
AI weather prediction has advanced rapidly, yet no unified mathematical framework explains what determines forecast skill. Existing theory addresses specific architectural choices rather than the learning pipeline as a whole, while…