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Heat transfer simulations of the fused filament fabrication process are an important tool to predict bonding, residual stresses and strength of 3D printed parts. But in order to capture the significant thermal gradients that occur in the…

Computational Engineering, Finance, and Science · Computer Science 2023-05-08 Nathalie Ramos , Christoph Mittermeier , Josef Kiendl

Molecular Dynamics (MD) is crucial in various fields such as materials science, chemistry, and pharmacology to name a few. Conventional MD software struggles with the balance between time cost and prediction accuracy, which restricts its…

Chemical Physics · Physics 2024-12-05 Ziyang Yu , Wenbing Huang , Yang Liu

Accurately predicting aerothermal behavior is paramount for the effective design of hypersonic vehicles, as aerodynamic heating plays a pivotal role in influencing performance metrics and structural integrity. This study introduces a…

A multi-objective prediction method of multi-stage pump method based on neural network with data augmentation is proposed. In order to study the highly nonlinear relationship between key design variables and centrifugal pump external…

Signal Processing · Electrical Eng. & Systems 2021-03-22 Hang Zhao

This paper establishes a data-driven modeling framework for lean Hydrogen (H2)-air reaction rates for the Large Eddy Simulation (LES) of turbulent reactive flows. This is particularly challenging since H2 molecules diffuse much faster than…

Computational Engineering, Finance, and Science · Computer Science 2025-02-19 Quentin Malé , Corentin J Lapeyre , Nicolas Noiray

Federated learning harnesses the power of distributed optimization to train a unified machine learning model across separate clients. However, heterogeneous data distributions and computational workloads can lead to inconsistent updates and…

Machine Learning · Computer Science 2024-10-15 Aayushya Agarwal , Gauri Joshi , Larry Pileggi

The hybrid particle-field molecular dynamics method is an efficient alternative to standard particle-based coarse grained approaches. In this work, we propose an automated protocol for optimisation of the effective parameters that define…

Soft Condensed Matter · Physics 2020-12-02 Morten Ledum , Sigbjørn Løland Bore , Michele Cascella

Accurate prediction and stabilization of blast furnace temperatures are crucial for optimizing the efficiency and productivity of steel production. Traditional methods often struggle with the complex and non-linear nature of the temperature…

Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computational model of the degradation process can facilitate the…

Computational Engineering, Finance, and Science · Computer Science 2021-07-28 Mojtaba Barzegari , Di Mei , Sviatlana V. Lamaka , Liesbet Geris

Computational fluid dynamics (CFD) is a specialised branch of fluid mechanics that utilises numerical methods and algorithms to solve and analyze fluid-flow problems. One promising avenue to enhance CFD is the use of quantum computing,…

Quantum Physics · Physics 2025-07-01 Javier Gonzalez-Conde , Dylan Lewis , Sachin S. Bharadwaj , Mikel Sanz

Learning from demonstration (LfD) is an intuitive framework allowing non-expert users to easily (re-)program robots. However, the quality and quantity of demonstrations have a great influence on the generalization performances of LfD…

Robotics · Computer Science 2020-08-07 Hakan Girgin , Emmanuel Pignat , Noémie Jaquier , Sylvain Calinon

In this paper, we consider queueing systems where the dynamics are non-stationary and state-dependent. For performance analysis of these systems, fluid and diffusion models have been typically used. Although they are proven to be…

Probability · Mathematics 2016-09-08 Young Myoung Ko , Natarajan Gautam

Computational Fluid Dynamics (CFD) is the main approach to analyzing flow field. However, the convergence and accuracy depend largely on mathematical models of flow, numerical methods, and time consumption. Deep learning-based analysis of…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Chang Liu

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf

We use three-dimensional particle dynamics simulations, coupled with volume-averaged gas phase hydrodynamics, to study vertically vibrated gas-fluidized beds of fine, cohesive powders. The volume-averaged interstitial gas flow is restricted…

Materials Science · Physics 2007-05-23 Sung Joon Moon , I. G. Kevrekidis , S. Sundaresan

Concept bottleneck models (CBM) aim to improve model interpretability by predicting human level "concepts" in a bottleneck within a deep learning model architecture. However, how the predicted concepts are used in predicting the target…

Machine Learning · Computer Science 2025-04-15 Matthew Shen , Aliyah Hsu , Abhineet Agarwal , Bin Yu

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

The design of flow control systems remains a challenge due to the nonlinear nature of the equations that govern fluid flow. However, recent advances in computational fluid dynamics (CFD) have enabled the simulation of complex fluid flows…

Computational Engineering, Finance, and Science · Computer Science 2018-11-13 Jeremy Morton , Freddie D. Witherden , Antony Jameson , Mykel J. Kochenderfer

Experimental calibration of dynamic thermal models is required for model predictive control and characterization of building energy performance. In these applications, the uncertainty assessment of the parameter estimates is decisive; this…

Applications · Statistics 2019-04-25 L. Raillon , Christian Ghiaus

The global push to advance Carbon Capture and Sequestration initiatives and green energy solutions, such as geothermal, have thrust new demands upon the current state-of-the-art subsurface fluid simulators. The requirement to be able to…

Machine Learning · Computer Science 2023-07-04 Surya T. Sathujoda , Soham M. Sheth