Tootfinder

Boosting the NOx production in microwave air plasma: A synergy of chemistry and vibrational kinetics
Qinghao Shen, Aleksandr Pikalev, Jonas Gans, Lex Kuijpers, Ashley Hughes, Vasco Guerra, M. C. M van de Sanden
https://arxiv.org/abs/2507.02795

Boosting the NOx production in microwave air plasma: A synergy of chemistry and vibrational kinetics
This study employs a quasi-1.5D multi-temperature model to investigate the mechanisms governing NOx production and energy costs in microwave plasma reactors operating at 80 mbar, focusing on the interplay of vibrational, chemical and electron kinetics, thermodynamics, and transport processes across the discharge and afterglow. In the plasma discharge zone, non-thermal processes enhance NOx production as electrons transfer energy effectively to the vibrational mode of N2. However, the non-therma…

Electron and gas temperature-driven chemistry during microdischarges formed in water vapour bubbles
Florens Grimm, Jan-Luca Gembus, Jana Sch\"one, Peter Awakowicz, Lars Sch\"ucke, Andrew R. Gibson
https://arxiv.org/abs/2506.05124

Electron and gas temperature-driven chemistry during microdischarges formed in water vapour bubbles
Microdischarges formed in bubbles immersed in liquids are of interest for materials synthesis and chemical conversion applications in the frame of plasma-driven electrochemistry. A key challenge associated with controlling such processes is the limited understanding of the gas-phase chemical kinetics in these microdischarges. Due to their large electron densities, and high gas temperatures, both electron and gas temperature driven chemistry are likely to be important. Here, a 0-D modelling appr…

Interior of a black hole in the framework of the scalar quasiparticle model
Sergey Bondarenko, Dima Cheskis, Raghvendra Singh
https://arxiv.org/abs/2506.02944

Interior of a black hole in the framework of the scalar quasiparticle model
We have developed an effective thermodynamic model for a black hole's interior composed of scalar quasiparticles. The proposed interior consists of a core and a crust; the properties of both depend on the kinetics of the quasiparticles. In the core, the quasiparticles possess zero classical kinetic energy; the total potential energy $U(N)$ of the core depends only on the number $N$ of quasiparticles inside it. The thermodynamic description of this state of matter requires the introduction of an…

Constraint-Guided Symbolic Regression for Data-Efficient Kinetic Model Discovery
Miguel \'Angel de Carvalho Servia (Mimi), Ilya Orson Sandoval (Mimi), King Kuok (Mimi), Hii, Klaus Hellgardt, Dongda Zhang, Ehecatl Antonio del Rio Chanona
https://arxiv.org/abs/2507.02730

Constraint-Guided Symbolic Regression for Data-Efficient Kinetic Model Discovery
The industrialization of catalytic processes hinges on the availability of reliable kinetic models for design, optimization, and control. Traditional mechanistic models demand extensive domain expertise, while many data-driven approaches often lack interpretability and fail to enforce physical consistency. To overcome these limitations, we propose the Physics-Informed Automated Discovery of Kinetics (PI-ADoK) framework. By integrating physical constraints directly into a symbolic regression app…

Whole body dynamic PET kernel reconstruction using nonnegative matrix factorization features
Alan Miranda, Steven Staelens
https://arxiv.org/abs/2507.00551

Whole body dynamic PET kernel reconstruction using nonnegative matrix factorization features
The kernel reconstruction is a method that reduces noise in dynamic positron emission tomography (PET) by exploiting spatial correlations in the PET image. Although this method works well for large anatomical regions with relatively slow kinetics, whole body PET reconstruction with the kernel method can produce suboptimal results in regions with fast kinetics and high contrast. In this work we propose a new design of the spatial kernel matrix to improve reconstruction in fast and slow kinetics …

Replaced article(s) found for stat.ML. https://arxiv.org/list/stat.ML/new
[2/2]:
- Inherited or produced? Inferring protein production kinetics when protein counts are shaped by a ...
Pedro Pessoa, Juan Andres Martinez, Vincent Vandenbroucke, Frank Delvigne, Steve Press\'e

Sub-barrier cavitation in liquid helium
Mikhail Pekker, Mikhail N. Shneider
https://arxiv.org/abs/2507.01910 https://arxiv.org/pdf/25…

Sub-barrier cavitation in liquid helium
In this paper, the tunneling mechanism of cavitation in liquid helium for 3He and 4He is considered on the basis of the Schrödinger-like equation. It is assumed that the pairwise interactions of helium atoms are determined by the Lennard-Jones potential. The kinetics of nucleation and the mechanism that limits the growth of cavitation bubbles in liquid helium are considered, taking into account their growth in a negative pressure field.

Luminescence thermometry based on time gates: highly sensitive approach for real time sensing and imaging
M. Szymczak, D. Szymanski, M. Piasecki, M. Brik, L. Marciniak
https://arxiv.org/abs/2506.01978

Luminescence thermometry based on time gates: highly sensitive approach for real time sensing and imaging
Undoubtedly, one of the most significant advantages of luminescence thermometry is its ability to be used not only for spot temperature measurements but also for imaging temperature changes. Among the commonly proposed approaches, luminescence thermometry based on luminescence kinetics holds particular promise. However, most thermometric studies rely on the analysis of luminescence decay profiles, a method that significantly hinders, if not entirely precludes, real-time thermal imaging. In this…

Replaced article(s) found for q-bio.QM. https://arxiv.org/list/q-bio.QM/new
[1/1]:
- Inherited or produced? Inferring protein production kinetics when protein counts are shaped by a ...
Pedro Pessoa, Juan Andres Martinez, Vincent Vandenbroucke, Frank Delvigne, Steve Press\'…

This https://arxiv.org/abs/2406.09670 has been replaced.
initial toot: https://mastoxiv.page/@arX…

Delayed phosphate release can highly improve energy efficiency of muscle contraction
While the power stroke of myosin and the release of inorganic phosphate (Pi) play crucial roles in transforming ATP's chemical energy into mechanical work across diverse biological systems, the exact temporal relationship between these events continues to be intensely debated. In this study, from a functional perspective, we computationally investigate the impact of Pi-release kinetics during the power stroke on muscle contraction dynamics. By implementing a mechanics model of the sarcomere uni…

Image-based measurements of Tafel slopes in aqueous MV/4-HO-TEMPO Flow Batteries
St\'ephane Chevalier, Yui Sasaki, Tsuyoshi Minami
https://arxiv.org/abs/2506.01264

Image-based measurements of Tafel slopes in aqueous MV/4-HO-TEMPO Flow Batteries
A total organic aqueous redox flow battery (RFB) employing methyl viologen (MV) electrolyte and 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl (4-HO-TEMPO) is tested and characterized under microfluidic conditions. The absence of physical membrane and the quasi-two-dimensional energy transfers occurring in this RFB design enables the first direct measurement of Tafel kinetics, charge transfer, and charge transport resistances for both anolyte and catholyte reactants during the RFB operations. T…

Topology, Kinetics and Inheritance in Clonal Colonies of Bone Marrow Stromal Cells
Alessandro Allegrezza, Riccardo Beschi, Domenico Caudo, Andrea Cavagna, Alessandro Corsi, Antonio Culla, Samantha Donsante, Giuseppe Giannicola, Irene Giardina, Giorgio Gosti, Tomas S. Grigera, Stefania Melillo, Biagio Palmisano, Leonardo Parisi, Lorena Postiglione, Mara Riminucci, Francesco Saverio Rotondi

Topology, Kinetics and Inheritance in Clonal Colonies of Bone Marrow Stromal Cells
Bone marrow stromal cells (BMSCs), whose populations contain multipotent skeletal stem cells with relevant therapeutic applications, are known to produce very heterogeneous colonies upon in vitro culture, a trait that may severely hinder the clinical usefulness of BMSC-based therapies. Therefore, reaching a better insight on the nature of such heterogeneity, as well as on the factors determining it, is important. Here, by using time-lapse microscopy, we study the structure of N=28 human BMSC co…

Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Porhouy Minh, Steven W. Hall, Ryan S. DeFever, Sapna Sarupria
https://arxiv.org/abs/2506.16541

Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Modulating liquid-to-solid transitions and the resulting crystalline structure for tailored properties is much desired. Colloidal systems are exemplary to this end, but the fundamental knowledge gaps in relating the influence of intermolecular interactions to crystallization behavior continue to hinder progress. In this study, we address this knowledge gap by studying nucleation and growth in systems with modified Lennard-Jones potential. Specifically, we study the commonly used 12-6 potential …

Replaced article(s) found for q-bio.MN. https://arxiv.org/list/q-bio.MN/new
[1/1]:
- Modeling the Monty Hall Decision Problem with Reaction Kinetics
Oliver Steinbock, Wen Zhu

Thermodynamically consistent collisional master equation in a low-density gas with internal structure
Michael Gaida, Giulio Gasbarri, Stefan Nimmrichter
https://arxiv.org/abs/2506.21394

Thermodynamically consistent collisional master equation in a low-density gas with internal structure
Quantum thermodynamics with open systems is often based on the quantum optical weak-coupling master equation or on operational repeated interaction models, whereas early works on thermalisation and on decoherence theory were mostly concerned with the kinetics of gas collisions. Here we formulate a master equation for the dynamics of a quantum system under inelastic scattering with a dilute thermal gas in three dimensions, comprised of ancilla particles that also possess internal degrees of free…

Replaced article(s) found for nlin.AO. https://arxiv.org/list/nlin.AO/new
[1/1]:
- Modeling the Monty Hall Decision Problem with Reaction Kinetics
Oliver Steinbock, Wen Zhu

Bridging Equilibrium and Kinetics Prediction with a Data-Weighted Neural Network Model of Methane Steam Reforming
Zofia Pizo\'n, Shinji Kimijima, Grzegorz Brus
https://arxiv.org/abs/2506.17224

Bridging Equilibrium and Kinetics Prediction with a Data-Weighted Neural Network Model of Methane Steam Reforming
Hydrogen's role is growing as an energy carrier, increasing the need for efficient production, with methane steam reforming being the most widely used technique. This process is crucial for applications like fuel cells, where hydrogen is converted into electricity, pushing for reactor miniaturization and optimized process control through numerical simulations. Existing models typically address either kinetic or equilibrium regimes, limiting their applicability. Here we show a surrogate model ca…

Long-term atomistic finite-temperature substitutional diffusion
Shashank Saxena, Prateek Gupta, Dennis M. Kochmann
https://arxiv.org/abs/2506.19543 https:/…

Long-term atomistic finite-temperature substitutional diffusion
Simulating long-term mass diffusion kinetics with atomic precision is important to predict chemical and mechanical properties of alloys over time scales of engineering interest in applications, including (but not limited to) alloy heat treatment, corrosion resistance, and hydrogen embrittlement. We present a new strategy to bridge from the time scale of atomic vibrations to that of vacancy-mediated atomic hops by a combination of statistical mechanics-based Gaussian phase packets (GPP) relaxati…

CFD Modelling and Sensitivity-Guided Design of Silicon Filament CVD Reactors
G. P. Gakis, G. Loacham\'in-Suntaxi, I. G. Aviziotis, E. D. Koronaki, P. P. Filippatos, G. Chatzigiannakis, S. P. A. Bordas, D. Davazoglou, A. G. Boudouvis
https://arxiv.org/abs/2506.18889

CFD Modelling and Sensitivity-Guided Design of Silicon Filament CVD Reactors
Filament-based chemical vapor deposition (CVD) for silicon (Si) coatings is often treated as a straightforward adaptation of planar deposition, just with a cylindrical substrate. But this overlooks a fundamental shift in how transport phenomena and reaction kinetics interact. In filament CVD, the filament is not just a substrate; it is the dominant heat source and flow disruptor all in one. In this work, we ask: What really governs Si film growth on filaments? Using a validated three-dimensiona…

Coarsening Kinetics in Active Model B : Macroscale and Microscale Phase Separation
Pradeep Kumar Yadav, Shradha Mishra, Sanjay Puri
https://arxiv.org/abs/2506.14548

Coarsening Kinetics in Active Model B+: Macroscale and Microscale Phase Separation
We perform a comprehensive numerical investigation of the coarsening kinetics of active Brownian particles modeled by the {\it Active Model B+} (AMB+). This model was introduced by Tjhung et al. [Phys. Rev. X {\bf 8}, 031080 (2018)] and is a generalization of Model B for a conserved order parameter, with two additional activity terms. These terms correspond to rotation-free current (of strength $λ$) and rotational current (of strength $ξ$). We find that the presence of rotational current $(ξ…

Nucleation kinetics in phase transformations with spatially correlated nuclei
M. Tomellini
https://arxiv.org/abs/2506.08515 https://a…

Nucleation kinetics in phase transformations with spatially correlated nuclei
Phase transitions ruled by nucleation and growth can occur by nonrandom arrangement of nuclei. This is verified, for instance, in thin film growth at solid surfaces by vapor condensation or by electrodeposition where, around each nucleus, a depletion zone of reactants sets up within which nucleation is prevented. In this contribution, a theoretical approach for the kinetics of phase transition with spatially correlated nuclei by progressive nucleation is developed. The work focuses on the rate …

This https://arxiv.org/abs/2409.06826 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_nli…

Pattern formation of bulk-surface reaction-diffusion systems in a ball
Weakly nonlinear amplitude equations are derived for the onset of spatially extended patterns on a general class of n-component bulk-surface reaction-diffusion systems in a ball, under the assumption of linear kinetics in the bulk and coupling Robin-type boundary conditions. Linear analysis shows conditions under which various pattern modes can become unstable to either generalised pitchfork or transcritical bifurcations depending on the parity of the spatial wavenumber. Weakly nonlinear analys…

Deep Learning-Based Prediction of High Explosive Induced Fluid Dynamics
Francis G. VanGessel, Mitul Pandya
https://arxiv.org/abs/2506.14710 https://…

Deep Learning-Based Prediction of High Explosive Induced Fluid Dynamics
Underwater explosions produce complex fluid phenomena relevant to diverse applications including maritime engineering, medical therapeutics, and inertial confinement fusion. These systems exhibit multiphase flows, chemical kinetics, and highly compressible dynamics that challenge traditional computational approaches. Current hydrodynamic solvers, while accurate, are computationally expensive and non-differentiable, limiting their use in design optimization and real-time applications. Here we sh…

Modeling the Monty Hall Decision Problem with Reaction Kinetics
Oliver Steinbock, Wen Zhu
https://arxiv.org/abs/2505.15824 https://ar…

Modeling the Monty Hall Decision Problem with Reaction Kinetics
Using the Monty Hall probability problem as a model system, we ask whether simple chemical reaction mechanisms can implement optimal strategies for non-trivial decision making. In this puzzle, a contestant chooses one of three doors (only one hides a prize), the host, knowing the content, opens another door revealing no prize, and finally the contestant must decide whether to stay with the original choice or switch to the remaining closed door. Assigning distinct molecular species to the player…

The mutual influence of disequilibrium composition and temperature in exoplanet atmospheres
Marcelino Agundez
https://arxiv.org/abs/2506.11658 https://

The mutual influence of disequilibrium composition and temperature in exoplanet atmospheres
We have developed a 1D planetary atmosphere model that solves in a self-consistent manner the evolution of temperature and disequilibrium chemistry in the vertical direction. Thermochemical kinetics is based on a reaction network built from scratch that includes 164 gaseous species composed of H, C, N, O, S, Si, P, Ti, He, and Ar, connected by 2352 forward reactions. The model is applied to the well-known gas giant exoplanets WASP-33b, HD209458b, HD189733b, GJ436b, and GJ1214b, and to secondary…

Noise-induced stabilization in a chemical reaction network without boundary effects
Andrea Agazzi, Lucie Laurence
https://arxiv.org/abs/2506.12163 https://…

Noise-induced stabilization in a chemical reaction network without boundary effects
We present a chemical reaction network that is unstable under deterministic mass action kinetics, exhibiting finite-time blow-up of trajectories in the interior of the state space, but whose stochastic counterpart is positive recurrent. This provides an example of noise-induced stabilization of the model's dynamics arising due to noise perturbing transversally the divergent trajectories of the system that is independently of boundary effects. The proof is based on a careful decomposition of the…

Simulation-trained conditional normalizing flows for likelihood approximation: a case study in stress regulation kinetics in yeast
Pedro Pessoa, Juan Andres Martinez, Vincent Vandenbroucke, Frank Delvigne, Steve Press\'e
https://arxiv.org/abs/2506.09374

Simulation-trained conditional normalizing flows for likelihood approximation: a case study in stress regulation kinetics in yeast
Physics-inspired inference often hinges on the ability to construct a likelihood, or the probability of observing a sequence of data given a model. These likelihoods can be directly maximized for parameter estimation, incorporated into Bayesian frameworks, or even used as loss functions in neural networks. Yet, many models, despite being conceptually simple, lack tractable likelihoods. A notable example arises in estimating protein production from snapshot measurements of actively dividing cell…

MXene triggers high toughness, high strength and low hysteresis hydrogels for printed artificial tissue
Chendong Zhao, Yaxing Li, Qinglong He, Shangpeng Qin, Huiqi Xie, Chuanfang Zhang
https://arxiv.org/abs/2506.14840

MXene triggers high toughness, high strength and low hysteresis hydrogels for printed artificial tissue
Substituting load-bearing tissues requires hydrogels with rapid processability, excellent mechanical strength and fatigue resistance. Conventional homogeneously polymerized hydrogels with short-chains/excessive branching exhibit low strength/toughness, being inadequate for artificial tissues. Here we introduce the heterogeneous polymerization-accelerated reaction kinetics on the Ti3C2Tx MXene microreactor and sluggish kinetics beyond-to rapidly produce hydrogels within minutes. This allows the …

This https://arxiv.org/abs/2503.14363 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_nli…

Transitions to Intermittent Chaos in Quorum Sensing Dynamics
This study analyses the dynamical consequences of heterogeneous temporal delays within a quorum sensing-inspired (QS-inspired) system, specifically addressing the differential response kinetics of two sub-populations to signalling molecules. A nonlinear delay differential equation (DDE) model, predicated upon an activator-inhibitor framework, is formulated to represent the interspecies interactions. Key analytical techniques, including the derivation of the pseudo-characteristic polynomial and …

This https://arxiv.org/abs/2505.10754 has been replaced.
initial toot: https://mastoxiv.page/@a…

Conservative velocity mappings for discontinuous Galerkin kinetics
Continuum computational kinetic plasma models evolve the distribution function of a plasma species $f_s$ on a phase-space grid over time. In many problems of interest the distribution function has limited extent in velocity space, hence using a highly refined mesh everywhere would be costly and slow. Nonuniform velocity grids can reduce the computational cost by placing more degrees of freedom where $f_s$ is appreciable and fewer where it is not. In this work we introduce a first-of-its kind di…

Kardar--Parisi--Zhang universality in optically induced lattices of exciton--polariton condensates
D. Novokreschenov, V. Neplokh, M. Misko, N. Starkova, T. Cookson, A. Kudlis, A. Nalitov, I. A. Shelykh, A. V. Kavokin, P. Lagoudakis
https://arxiv.org/abs/2506.10187

Kardar--Parisi--Zhang universality in optically induced lattices of exciton--polariton condensates
We investigate space-time coherence in one-dimensional lattices of exciton-polariton condensates formed by fully reconfigurable non-resonant optical pumping. Starting from an open-dissipative Gross-Pitaevskii equation with deterministic reservoir kinetics and stochastic condensate noise, we derive a discrete complex-field model that incorporates coherent tunnelling, reservoir-mediated dissipative coupling and gain-saturation non-linearity. Adiabatic elimination of fast density fluctuations reve…

A unified fluid model for nonthermal plasmas and reacting flows
Xiao Shao, Deanna A. Lacoste, Hong G. Im
https://arxiv.org/abs/2506.07792 https://

A unified fluid model for nonthermal plasmas and reacting flows
This work presents a unified fluid modeling framework for reacting flows coupled with nonthermal plasmas (NTPs). Building upon the gas-plasma kinetics solver, ChemPlasKin, and the CFD library, OpenFOAM, the integrated solver, reactPlasFOAM, allows simulation of fully coupled plasma-combustion systems with versatility and high performance. By simplifying the governing equations according to the dominant physical phenomena at each stage, the solver seamlessly switches between four operating modes…

PAMBE growth of GaN nanowires on metallic ZrN buffers -- a critical impact of ZrN layer thickness on the growth temperature
Karol Olszewski, Zbigniew R. Zytkiewicz, Aleksandra Wierzbicka, Marek Guziewicz, Marta Sobanska
https://arxiv.org/abs/2506.11754

PAMBE growth of GaN nanowires on metallic ZrN buffers -- a critical impact of ZrN layer thickness on the growth temperature
An impact of thin metallic ZrN layers on Si and sapphire wafers on substrate temperature during MBE growth of GaN nanowires is studied. Using nucleation kinetics of GaN as a sensitive probe we show that a thin ZrN layer strongly increases the substrate temperature, which significantly affects the dimensions and density of the nanowires. To quantify the effect we developed a technique of optical pyrometer calibration that allows reliable determination of emissivity, and thus precise measurement …

This https://arxiv.org/abs/2502.17257 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_qbi…

What is a chemostat? Insights from hybrid dynamics and stochastic thermodynamics
At the microscopic scale, open chemical reaction networks are described by stochastic reactions that follow mass-action kinetics and are coupled to chemostats. We show that closed chemical reaction networks -- with specific stoichiometries imposed by mass-action kinetics -- behave like open ones in the limit where the abundances of a subset of species become macroscopic, thus playing the role of chemostats. We prove that this limit is thermodynamically consistent by recovering the local detaile…

First-Passage Observables of $d$-dimensional Confined Jump Processes
J\'er\'emie Klinger, Olivier B\'enichou, Rapha\"el Voituriez
https://arxiv.org/abs/2506.12581

First-Passage Observables of $d$-dimensional Confined Jump Processes
First-passage observables (FPO) are central to understanding stochastic processes in confined domains, with applications spanning chemical reaction kinetics, foraging behavior, and molecular transport. While extensive analytical results exist for continuous processes, discrete jump processes -- crucial for describing empirically observed dynamics -- remain largely unexplored in this context. This paper presents a comprehensive framework to systematically evaluate FPO for $d$-dimensional confine…

Crossover in growth law in the vapor-liquid phase separation inside complex porous medium
Preethi M, Bhaskar Sen Gupta
https://arxiv.org/abs/2506.09646 htt…

Crossover in growth law in the vapor-liquid phase separation inside complex porous medium
We employ molecular dynamics simulations to investigate the domain morphology and growth kinetics of a vapor-liquid system embedded within a complex porous medium. By systematically varying the pore structure, we analyze the scaling behavior of correlation functions, structure factors, and domain growth exponents. The structure factor confirms the breakdown of Porod law and the emergence of fractal-like domain boundaries. Our key finding is the clear crossover in the domain growth law, from the…

Numerical Modeling of n-Hexane Pyrolysis with an Optimized Kinetic Mechanism in a Hydrogen Plasma Reactor
Subin Choi, Chanmi Jung, Dae Hoon Lee, Jeongan Choi, Jaekwang Kim
https://arxiv.org/abs/2506.13789

Numerical Modeling of n-Hexane Pyrolysis with an Optimized Kinetic Mechanism in a Hydrogen Plasma Reactor
The physicochemical mechanisms underlying the pyrolysis of n-hexane in a high temperature Ar-H2 environment were investigated for plasma pyrolysis process. An optimal chemical kinetics model was developed using the Reaction Mechanism Generator (RMG), an automated tool for constructing reaction mechanisms. This model was validated through 0-D analyses, where simulation result were compared with existing kinetic models (LLNL,JetSurf) and experimental data from conventional n-hexane pyrolysis. Sub…

Mathematical models for the EP2 and EP4 signaling pathways and their crosstalk
Alessandra Cambi, Diane S Lidke, Mariya Ptashnyk, Willemijn Smit, Stefanie Sonner
https://arxiv.org/abs/2505.11712

Mathematical models for the EP2 and EP4 signaling pathways and their crosstalk
The G-protein coupled receptors EP2 and EP4 both transduce the signal of the lipid messenger Prostaglandin E2 (PGE2). Changes in the cell response to PGE2 can have important effects on immunity and development of diseases, however, a thorough understanding of the EP2-EP4 receptors' signaling pathways is lacking. Experimental data show that receptor activity (indicated by cAMP expression) has a different kinetics depending on which receptor is triggered by PGE2 and that crosstalk exists between …