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Masked diffusion models (MDMs) have achieved notable progress in modeling discrete data, while their potential in molecular generation remains underexplored. In this work, we explore their potential and introduce the surprising result that…

Machine Learning · Computer Science 2025-09-29 Hyunjin Seo , Taewon Kim , Sihyun Yu , SungSoo Ahn

The analysis of the damage on plasma facing materials (PFM), due to its direct interaction with the plasma environment, is needed to build the next generation of nuclear machines, where tungsten has been proposed as a candidate. In this…

Materials Science · Physics 2019-10-29 F. J. Domínguez-Gutiérrez , J Byggmästar , K. Nordlund , F. Djurabekova , U von Toussaint

Modular Active Cell Robots (MACROs) is a design approach in which a large number of linear actuators and passive compliant joints are assembled to create an active structure with a repeating unit cell. Such a mesh-like robotic structure can…

Robotics · Computer Science 2022-03-15 Gaurav Singh , Ahsan Nawroj , Aaron M Dollar

Thermodynamic descriptions of all binaries within the Cr-Fe-Mo-Nb-Ni system have been complied and, where necessary, remodeled. Notably, the Cr-Fe and Fe-Mo systems have been remodeled using comprehensive sublattice models for the…

Materials Science · Physics 2025-07-23 Hui Sun , Shun-Li Shang , Shuang Lin , Jingjing Li , Allison M. Beese , Zi-Kui Liu

Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…

Mesoscale and Nanoscale Physics · Physics 2025-09-30 Anagha Gopinath , Faiha Mujeeb , Subhabrata Dhar , Jyoti Mohanty

Since the 1970s, analogies between laser dynamics and fluid systems have provided insight into phenomena such as chaos, multistability, and turbulence. Building on this perspective, we model the optical field as an energy fluid and…

Accelerating beams are wave packets which appear to spontaneously accelerate without external potentials or applied forces. Since their first physical realisation in the form of Airy beams, they have found applications on various platforms,…

Quantum Gases · Physics 2020-07-01 David Colas , Fabrice P. Laussy , Matthew J. Davis

Dynamic Mode Decomposition (DMD) is an unsupervised machine learning method that has attracted considerable attention in recent years owing to its equation-free structure, ability to easily identify coherent spatio-temporal structures in…

Machine Learning · Computer Science 2022-02-16 Alex Viguerie , Gabriel F. Barros , Malú Grave , Alessandro Reali , Alvaro L. G. A. Coutinho

A thermodynamically consistent phase-field model is developed to study the non-isothermal grain coalescence during the sintering process, with a potential application to the simulation in unconventional sintering techniques, e.g. spark…

Materials Science · Physics 2018-06-08 Yangyiwei Yang , Min Yi , Bai-Xiang Xu , Long-Qing Chen

The electric field grading of dielectric permittivity gradient devices is an effective way of enhancing their insulation properties. The in-situ electric field-driven assembly is an advanced method for the fabrication of insulation devices…

Materials Science · Physics 2020-09-25 Zikui Shen , Zhenyu Xin , Xilin Wang , Xinyu Wei , Zhidong Jia

The understanding of self-organization in the twist-bend nematic $(N_\text{TB})$ phase, identified in 2011 in liquid crystal dimers, is at the forefront of soft matter research worldwide. This new nematic phase develops structural chirality…

Soft Condensed Matter · Physics 2020-10-27 Lech Longa , Wojciech Tomczyk

We present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes…

Chemical Physics · Physics 2016-09-29 Shiva Rudraraju , Anton Van der Ven , Krishna Garikipati

Surface characteristics are a major contributor to the in-service performance, particularly fatigue life, of additively manufactured (AM) components. Centrifugal disk finishing (CDF) is one of many rigid media, abrasive machining processes…

Applied Physics · Physics 2024-06-26 Kenneth M. Peterson , Mustafa Rifat , Edward C. DeMeter , Saurabh Basu , Darren C. Pagan

Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic, and can be systematically improved with training. Highly…

Chemical Physics · Physics 2015-06-16 John C. Snyder , Matthias Rupp , Katja Hansen , Leo Blooston , Klaus-Robert Müller , Kieron Burke

Uniaxial tensile tests are performed on a polymethyl methacrylate (PMMA) grade over a range of temperatures near the glass transition and over two decades of strain rate. Deformation maps are constructed for Young's modulus, flow strength,…

Soft Condensed Matter · Physics 2019-07-09 Frederik Van Loock , Norman A. Fleck

Variation in the local thermal history during the laser powder bed fusion (LPBF) process in additive manufacturing (AM) can cause microporosity defects. in-situ sensing has been proposed to monitor the AM process to minimize defects, but…

Machine Learning · Computer Science 2021-12-22 Sina Malakpour Estalaki , Cody S. Lough , Robert G. Landers , Edward C. Kinzel , Tengfei Luo

This paper addresses the topic of condition monitoring of wind turbine blades and presents a learning-based approach to fault detection. The proposed scheme utilises Principal Components Analysis and Autoencoders to derive data-driven…

Systems and Control · Electrical Eng. & Systems 2024-11-01 Giovanni Zaniboni , Alessio Dallabona , Johnny Nielsen , Dimitrios Papageorgiou

We study two closely related, nonlinear models of a viscoplastic solid. These models capture essential features of plasticity over a wide range of strain rates and applied stresses. They exhibit inelastic strain relaxation and steady flow…

Materials Science · Physics 2009-10-31 Alexander E. Lobkovsky , J. S. Langer

Slow dynamic nonlinearity describes a poorly understood, creep-like phenomena that occurs in brittle composite materials such as rocks and cement. It is characterized by a drop in stiffness induced by a mechanical conditioning, followed by…

Soft Condensed Matter · Physics 2020-01-15 John Y. Yoritomo , Richard L. Weaver

We investigate the structural, vibrational, and mechanical properties of jammed packings of deformable particles with shape degrees of freedom in three dimensions (3D). Each 3D deformable particle is modeled as a surface-triangulated…

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