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By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…

Materials Science · Physics 2022-01-04 Daniel Mutter , Peter Nielaba

Denoising diffusion models represent a recent emerging topic in computer vision, demonstrating remarkable results in the area of generative modeling. A diffusion model is a deep generative model that is based on two stages, a forward…

Computer Vision and Pattern Recognition · Computer Science 2025-01-17 Florinel-Alin Croitoru , Vlad Hondru , Radu Tudor Ionescu , Mubarak Shah

This paper investigates pattern formation in reaction--diffusion systems with both diffusive and nondiffusive components, providing necessary and sufficient conditions for diffusion-driven instability (DDI) and establishing the existence of…

Analysis of PDEs · Mathematics 2026-05-07 Théo André , Szymon Cygan , Anna Marciniak-Czochra , Finn Münnich

Standard diffusion models involve an image transform -- adding Gaussian noise -- and an image restoration operator that inverts this degradation. We observe that the generative behavior of diffusion models is not strongly dependent on the…

Computer Vision and Pattern Recognition · Computer Science 2022-08-22 Arpit Bansal , Eitan Borgnia , Hong-Min Chu , Jie S. Li , Hamid Kazemi , Furong Huang , Micah Goldblum , Jonas Geiping , Tom Goldstein

A multi-relaxation-time discrete Boltzmann model (DBM) with split collision is proposed for both subsonic and supersonic compressible reacting flows, where chemical reactions take place among various components. The physical model is based…

Statistical Mechanics · Physics 2024-04-23 Chuandong Lin , Kai H. Luo , Huilin Lai

The increased model capacity of Diffusion Transformers (DiTs) and the demand for generating higher resolutions of images and videos have led to a significant rise in inference latency, impacting real-time performance adversely. While prior…

Computer Vision and Pattern Recognition · Computer Science 2024-11-22 Xibo Sun , Jiarui Fang , Aoyu Li , Jinzhe Pan

The mechanical properties of metallic nanostructures are governed not only by topology but also by crystal symmetry and face-specific surface physics, which are typically absent from continuum topology optimization. We develop an…

Applied Physics · Physics 2026-04-07 Chun-Teh Chen , Denvid Lau

We study the inductive biases of diffusion models with a conditioning-variable, which have seen widespread application as both text-conditioned generative image models and observation-conditioned continuous control policies. We observe that…

Machine Learning · Computer Science 2025-12-23 Daniel Pfrommer , Zehao Dou , Christopher Scarvelis , Max Simchowitz , Ali Jadbabaie

In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…

Materials Science · Physics 2014-05-30 Luis G. V. Gonçalves , José P. Rino

Battery degradation remains a critical challenge in the pursuit of green technologies and sustainable energy solutions. Despite significant research efforts, predicting battery capacity loss accurately remains a formidable task due to its…

Bias Temperature Instability (BTI) is a major reliability concern in CMOS technology, especially with High dielectric constant (High-\k{appa}/HK) metal gate (MG) transistors. In addition, the time independent process induced variation has…

Mesoscale and Nanoscale Physics · Physics 2017-02-07 Mohammad Khaled Hassan , Kaushik Roy

Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with desired properties. In addition, these models could also be…

Materials Science · Physics 2026-01-06 Timo Reents , Arianna Cantarella , Marnik Bercx , Pietro Bonfà , Giovanni Pizzi

In this work, we aimed to replicate and extend the results presented in the DiffFluid paper[1]. The DiffFluid model showed that diffusion models combined with Transformers are capable of predicting fluid dynamics. It uses a denoising…

Fluid Dynamics · Physics 2025-07-14 Yannick Gachnang , Vismay Churiwala

Self-limiting oxidation of nanowires has been previously described as a reaction- or diffusion-controlled process. In this letter, the concept of finite reactive region is introduced into a diffusion-controlled model, based upon which a…

Materials Science · Physics 2019-11-21 Mingchao Liu , Peng Jin , Zhiping Xu , Dorian A. H. Hanaor , Yixiang Gan , Changqing Chen

Nonequilibrium physics encompasses a broad range of natural and synthetic small-scale systems. Optimizing transitions of such systems will be crucial for the development of nanoscale technologies and may reveal the physical principles…

Statistical Mechanics · Physics 2015-09-23 Patrick R. Zulkowski , Michael R. DeWeese

In this paper, we propose a deterministic diffusion-based framework for controlling the probability density of nonlinear control-affine systems, with theoretical guarantees for drift-free and linear time-invariant (LTI) dynamics. The…

Optimization and Control · Mathematics 2026-03-12 Karthik Elamvazhuthi , Darshan Gadginmath , Fabio Pasqualetti

Recent advances in diffusion transformers (DiTs) have set new standards in image generation, yet remain impractical for on-device deployment due to their high computational and memory costs. In this work, we present an efficient DiT…

We prove that a denoising diffusion sampler equipped with a sequential bias across the batch dimension is exactly an Euler-Maruyama integrator for overdamped Langevin dynamics. Each reverse denoising step, with its associated spring…

Machine Learning · Computer Science 2025-12-01 Justin Diamond , Markus Lill

A multi-timescale hybrid model is proposed to study microscopically the degraded performance of electronic devices, covering three individual stages of radiation effects studies, including ultrafast displacement cascade, intermediate defect…

Materials Science · Physics 2014-09-16 Danhong Huang , Fei Gao , D. A. Cardimona

We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology,…

Soft Condensed Matter · Physics 2020-01-16 Bruno H. S. Mendonça , Patricia Ternes , Evy Salcedo , Alan B. de Oliveira , Marcia C. Barbosa
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