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We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input…

Predicting the extreme hydrodynamic response of porous and architected lattice materials is a fundamental challenge in high energy density physics, where shock-induced pore collapse, baroclinic vorticity, and anomalous kinetic and…

High-through computational thermodynamic approaches are becoming an increasingly popular tool to uncover novel compounds. However, traditional methods tend to be limited to stability predictions of stoichiometric phases at absolute zero.…

Materials Science · Physics 2022-04-20 Sayan Samanta , Axel Van de Walle

This article addresses the propagation of constitutive uncertainties between scales occurring in the multiscale modelling of fibre-reinforced composites. The amplification of such uncertainties through upward or downward transitions by a…

Classical Physics · Physics 2008-04-21 Y. Rollet , M. Bonnet , N. Carrère , F. -H. Leroy , J. -F. Maire

A phase-field approach becomes a more popular candidate in modeling crack propagation. It uses a scalar auxiliary variable, namely a phase-field variable, to model a discontinuity zone in a continuity domain. Furthermore, the fourth-order…

Computational Engineering, Finance, and Science · Computer Science 2022-12-15 Khuong D. Nguyen , Cuong-Le Thanh , Frank Vogel , H. Nguyen-Xuan , M. Abdel-Wahab

We present a method for computing uncertainties in spectral models, i.e. level populations, line emissivities, and emission line ratios, based upon the propagation of uncertainties originating from atomic data. We provide analytic…

Instrumentation and Methods for Astrophysics · Physics 2015-06-12 Manuel A. Bautista , Vanessa Fivet , Pascal Quinet , Jay Dunn , Theodore R. Gull. Timothy R. Kallman , Claudio Mendoza

Motivated by critical challenges and needs from biopharmaceuticals manufacturing, we propose a general metamodel-assisted stochastic simulation uncertainty analysis framework to accelerate the development of a simulation model with modular…

Methodology · Statistics 2022-09-07 Wei Xie , Russell R. Barton , Barry L. Nelson , Keqi Wang

We present a phase field model (PFM) for simulating complex crack patterns including crack propagation, branching and coalescence in rock. The phase field model is implemented in COMSOL and is based on the strain decomposition for the…

Soft Condensed Matter · Physics 2019-02-19 Shuwei Zhou , Xiaoying Zhuang , Hehua Zhu , Timon Rabczuk

Composites with high strength and high fracture resistance are desirable for structural and protective applications. Most composites, however, suffer from poor damage tolerance and are prone to unpredictable fractures. Understanding the…

Materials Science · Physics 2024-04-23 Tommaso Magrini , Chelsea Fox , Adeline Wihardja , Athena Kolli , Chiara Daraio

Transformations accompanying shape-instability govern the morphological configuration and distribution of the phases in a microstructure. Owing to the influence of the microstructure on the properties of a material, the stability of…

Computational Engineering, Finance, and Science · Computer Science 2020-06-17 Tobias Mittnacht , Prince Gideon Kubendran Amos , Daniel Schneider , Britta Nestler

Efficiently performing predictive studies of irradiated particle-laden turbulent flows has the potential of providing significant contributions towards better understanding and optimizing, for example, concentrated solar power systems. As…

Computational Physics · Physics 2018-08-20 Hillary R. Fairbanks , Lluis Jofre , Gianluca Geraci , Gianluca Iaccarino , Alireza Doostan

This paper analyzes the effects of input uncertainties on the outputs of a three dimensional natural convection problem in a differentially heated cubical enclosure. Two different cases are considered for parameter uncertainty propagation…

Numerical Analysis · Computer Science 2020-10-06 Shantanu Shahane , Narayana R. Aluru , Surya Pratap Vanka

Explicit quantification of uncertainty in engineering simulations is being increasingly used to inform robust and reliable design practices. In the aerospace industry, computationally-feasible analyses for design optimization purposes often…

Fluid Dynamics · Physics 2019-11-13 Jayant Mukhopadhaya , Brian T. Whitehead , John F. Quindlen , Juan J. Alonso

Machine learning (ML) models are increasingly being used in metrology applications. However, for ML models to be credible in a metrology context they should be accompanied by principled uncertainty quantification. This paper addresses the…

Machine Learning · Computer Science 2024-05-09 Andrew Thompson

Multi-physics models governed by coupled partial differential equation (PDE) systems, are naturally suited for partitioned, or modular numerical solution strategies. Although widely used in tackling deterministic coupled models, several…

Numerical Analysis · Mathematics 2014-10-22 Akshay Mittal , Gianluca Iaccarino

For objects in the low Earth orbit region, uncertainty in atmospheric density estimation is an important source of orbit prediction error, which is critical for space situational awareness activities such as the satellite conjunction…

Space Physics · Physics 2022-11-01 Smriti Nandan Paul , Richard J. Licata , Piyush M. Mehta

This work proposes a continuum-based approach for the propagation of uncertainties in the initial conditions and parameters for the analysis and prediction of spacecraft re-entries. Using the continuity equation together with the re-entry…

Computational Engineering, Finance, and Science · Computer Science 2021-06-01 Mirko Trisolini , Camilla Colombo

The relevant parameters at the microstructure scale that govern the macroscopic toughness of disordered brittle materials are investigated theoretically. We focus on planar crack propagation and describe the front evolution as the…

Disordered Systems and Neural Networks · Physics 2014-02-25 Vincent Démery , Laurent Ponson , Alberto Rosso

Fiber orientation is decisive for the mechanical performance of composite materials. During manufacturing, variations in material and process parameters can influence fiber orientation. We employ multilevel polynomial surrogates to model…

Computational Engineering, Finance, and Science · Computer Science 2025-03-18 Stjepan Salatovic , Sebastian Krumscheid , Florian Wittemann , Luise Kärger

Determining process-structure-property linkages is one of the key objectives in material science, and uncertainty quantification plays a critical role in understanding both process-structure and structure-property linkages. In this work, we…

Computational Engineering, Finance, and Science · Computer Science 2023-01-27 Anh Tran , Tim Wildey
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