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At least 469 records · Page 26

A Landau-Devonshire Approach of Elastic Strain Effects on Ferroelectric Al1-xScxN

Landau-Devonshire thermodynamic modeling enables the phenomenological description of ferroelectrics. 1 The approach has been validated across a wide range of ferroelectric materials from the first ferroelectric discovered, Rochelle Salt, to recent HfO2-based materials. 2-4 Extension to what is now referred to as the Landau-Ginsburg-Devonshire model enables rigorous investigation of polarization boundaries and reorientation, phase transformations, and domain formation/evolution. We present a thermodynamic analysis of the recently discovered nitride ferroelectric materials 5-7 using the classic Landau-Devonshire approach. The electrostrictive and dielectric stiffness coefficients of Al1-xScxN with wurtzite structure (6mm) are determined using a free energy density function assuming a hexagonal parent phase (6/mmm), with the first order phase transition based on the dielectric stiffness relationships (Fig. 1). The results of this analysis show that the strain sensitivity of the energy barrier is one order of magnitude larger than that of the spontaneous polarization in these wurtzite ferroelectrics, yet both are less sensitive to strain compared to classic perovskite ferroelectrics (Fig. 2). These analysis results reported here explain experimentally reported sensitivity of coercive field to elastic strain/stress in Al1-xScxN films, and would enable further thermodynamic analysis via phase field simulation and related methods.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗

A closer look at isodoublet vector leptoquark solution to the ${R}_{D^{\left(\ast \right)}}$ anomaly

We discuss a model with a SU(2) L doublet vector leptoquark (LQ), motivated by the recent experimental results relating to the lepton universality of $\overline{B}$ → D$^{(*)}$$τ\overline{ν}_τ$ We find that scalar operators predicted by the LQ are favored to explain the deviations, taking into account the recent LHCb result. We investigate the extensive phenomenology of the model and conclude that B s → $τ\overline{τ}$, B → $Kτ\overline{τ}$, B u → $τ\overline{ν}_τ$ and high-p T di- τ lepton signatures at the LHC will probe the interesting parameter region in the near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

LASSO for CALPHAD Model Selection Enables Data-Efficient Thermodynamic Modeling: An Application in Thermochemical Hydrogen Production Materials

Phenomenological CALPHAD (CALculation of PHAse Diagrams) models, widely used for multicomponent materials, often contain a considerable number of parameters and require fitting using data from a relatively small number of experimental measurements or theoretical calculations. Sometimes these parameters are introduced for the purpose of improving model fits but without clear physical justification, which leads to overparametrized models with poor generalization performance. Automated approaches for optimal model selection based on the available data therefore become critical. Here, in this work, a least absolute shrinkage and selection operator (LASSO)-based approach is developed for model selection by leveraging the linearity of the CALPHAD model with respect to its parameters to convert the model selection and fitting to a LASSO minimization problem. We demonstrate its utility for thermodynamic modeling of thermochemical hydrogen (TCH) production materials using lanthanum strontium manganite (LSM) as an example. Various TCH-relevant properties, including oxygen stoichiometry as a function of oxygen partial pressure, enthalpy of reduction, and entropy of reduction, are successfully predicted with reasonable accuracy using a minimal set of model parameters. Importantly, the model selection and fitting involve minimal human decision; it can therefore be applied to high-throughput DFT defect calculations and yield efficient workflows for TCH material modeling and optimization.

CALPHAD↗

Early dark sector, the Hubble tension, and the swampland

We consider the interplay of the Early Dark Energy (EDE) model, the Swampland Distance Conjecture (SDC), and cosmological parameter tensions. EDE is a proposed resolution of the Hubble tension relying upon a near-Planckian scalar field excursion, while the SDC predicts an exponential sensitivity of masses of other fields to such an excursion, m ∝ e –c |ΔΦ|/Mpl with c ~ 0(1). Meanwhile, EDE is in tension with large-scale structure (LSS) data, due to shifts in the standard ΛCDM parameters necessary to fit the cosmic microwave background (CMB). One might hope that a proper treatment of the model, e.g., accounting for the SDC, may ameliorate the tension with LSS. Motivated by these considerations, we introduce the Early Dark Sector (EDS) model, wherein the mass of dark matter is exponentially sensitive to super-Planckian field excursions of the EDE scalar. The EDS model exhibits new phenomenology in both the early and late universe, the latter due to an EDE-mediated dark matter self-interaction. This dark matter-philic "fifth force", while constrained to be small, remains active in the late universe and is not screened in virialized halos. We find that the new interaction with dark matter partially resolves the LSS tension. However, the marginalized posteriors are nonetheless consistent with f EDE = 0 at 95% CL once the Dark Energy Survey Year 3 measurement of S 8 is included. We study constraints on the model from Atacama Cosmology Telescope data, and find a factor of two improvement on the error bar on the SDC parameter c, along with an increased preference for the EDE component. Here, we discuss the implications of these constraints for the SDC, and find the tightest observational constraints to date on a swampland parameter, suggesting that an EDE description of cosmological data is in tension with the SDC.

79 ASTRONOMY AND ASTROPHYSICS↗

Updated cosmological constraints on axion dark energy with DESI

Here, we present updated constraints on the parameters of an axion dark energy model, for which we took into account the properties of its characteristic potential and its full cosmological evolution. We show that the values of the axion parameters appear sufficiently constrained by the data, including the latest DESI DR1, and are consistent with the theoretical expectations of a field mass 𝑚 𝑎 in the ultralight regime log⁡(𝑚 𝑎 ⁢𝑐 2 /eV) ≃ −32.60 ±0.12, and an effective energy scale 𝑓 𝑎 close to the reduced Planck energy log⁡(𝑓 𝑎 ⁡/𝑀 Pl ) ≃ −0.28 ± 0.19. Our results also support the idea of dynamical dark energy, although Bayesian evidence still favors the phenomenological dark energy model 𝑤 0 ⁢𝑤 𝑎 over the axion dark energy, with the Bayes factor indicating moderate and weak strength of the evidence, respectively, when the models are compared to the cosmological constant Λ. However, the results suggest that axion dark energy remains a well-motivated model and its parameters may be better constrained if the upcoming DESI data show further evidence for dynamical dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of MCNP, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) confirm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results analysis methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exemplified through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of the Monte Carlo N-Particle radiation transport simulation tool, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) confirm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results assessment methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exemplified through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of the Monte Carlo N-Particle radiation transport simulation tool, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) con firm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results assessment methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exempli fied through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Time dependent turbulence modeling and analytical theories of turbulence

By simplifying the direct interaction approximation (DIA) for turbulent shear flow, time dependent formulas are derived for the Reynolds stresses which can be included in two equation models. The Green's function is treated phenomenologically, however, following Smith and Yakhot, we insist on the short and long time limits required by DIA. For small strain rates, perturbative evaluation of the correlation function yields a time dependent theory which includes normal stress effects in simple shear flows. From this standpoint, the phenomenological Launder-Reece-Rodi model is obtained by replacing the Green's function by its long time limit. Eddy damping corrections to short time behavior initiate too quickly in this model; in contrast, the present theory exhibits strong suppression of eddy damping at short times. A time dependent theory for large strain rates is proposed in which large scales are governed by rapid distortion theory while small scales are governed by Kolmogorov inertial range dynamics. At short times and large strain rates, the theory closely matches rapid distortion theory, but at long times it relaxes to an eddy damping model.

Rubinstein, R.↗

Structure of Stellar Remnants with Coupling to a Light Scalar

In this paper we study how a Yukawa coupling of the Standard Model fermions to a light scalar field effects the stellar structure of cold stellar remnants such as neutron stars. We elucidate the stellar structure phenomenology using a simple model of a massive scalar coupled to a single dominant fermion with no other interactions. For a broad scalar mass range ($10^{-10}\,\mathrm{eV}\ll m_\phi\ll10^3\,\mathrm{eV}$ for neutron stars) we show that the equation-of-state and stellar structure depends only the effective coupling $\mathfrak{g}=\frac{g_f\,m_f}{m_\phi}$, where $g_f$ is the Yukawa coupling, $m_f$ the fermion mass and $m_\phi$ is the scalar kinematic mass at nuclear densities. If $\mathfrak{g}>\mathcal{O}(1)$ the Yukawa coupled matter exhibits various anomalous behaviors including hydrodynamic instability, negative pressure, distinct phases (soft and hard) of matter with sharp phase boundaries between them and with vacuum. These anomalies can lead to stars consisting of only soft, only hard or hybrid of soft and hard matter. These stars can have varying signs of the slope of the mass-radius relation, anomalously large and small masses, gaps in allowed radii, multiple radii for the same mass, very thin crusts and radiate anomalously large amounts of energy when they form (in the form of neutrinos for neutron stars). To the extent that these anomalies have not and/or will not be observed limits the effective coupling to $\mathfrak{g}<\mathcal{O}(1)$. We argue this phenomenology is generic to realistic models of stars with Yukawa coupled matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Mechanism-Based Reaction–Diffusion Model for Accelerated Discovery of Thermoset Resins Frontally Polymerized by Olefin Metathesis

Frontal ring-opening metathesis polymerization (FROMP) involves a self-perpetuating exothermic reaction, which enables the rapid and energy-efficient manufacturing of thermoset polymers and composites. Current state-of-the-art reaction–diffusion FROMP models rely on a phenomenological description of the olefin metathesis kinetics, limiting their ability to model the governing thermo-chemical FROMP processes. Furthermore, the existing models are unable to predict the variations in FROMP kinetics with changes in the resin composition and as a result are of limited utility toward accelerated discovery of new resin formulations. In this work, we formulate a chemically meaningful model grounded in the established mechanism of ring-opening metathesis polymerization (ROMP). Our study aims to validate the hypothesis that the ROMP mechanism, applicable to monomer-initiator solutions below 100 °C, remains valid under the nonideal conditions encountered in FROMP, including ambient to >200 °C temperatures, sharp temperature gradients, and neat monomer environments. Through extensive simulations, we demonstrate that our mechanism-based model accurately predicts the FROMP behavior across various resin compositions, including polymerization front velocities and thermal characteristics (e.g., T max ). Additionally, we introduce a semi-inverse workflow that predicts FROMP behavior from a single experimental data point. Notably, the physiochemical parameters utilized in our model can be obtained through DFT calculations and minimal experiments, highlighting the model’s potential for rapid screening of new FROMP chemistries in pursuit of thermoset polymers with superior thermo-chemo-mechanical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Black Hole X-ray Binaries: The Case of Cygnus X-1

Black Hole X-ray Binaries are known to display distinct emission states that differ in their X-ray spectra, their X-ray timing properties (on times scales less than 1 s) and their radio emission. In recent years monitoring observations, specially with NASA's Rossi X-ray Timing Explorer (RXTE), have provided us with detailed empirical modeling of the phenomenology of the different states as well as a unification scheme of the long term evolution of black holes, transient and persistent, in terms of these states. Observations of the persistent High Mass X-ray Binary (HMXB) Cygnus X-l have been at the forefront of learning about black hole states since its optical identification through a state transition in 1973. In this talk I will present in depth studies of several different aspects of the accretion process in this system. The main data base for these studies is an ongoing RXTE and Ryle radio telescope bi-weekly monitoring campaign that started in 1997. I will discuss high-resolution timing results, especially power spectra, which first gave rise to the Lorentzian description now widely used for black hole and neutron star binaries, and time lags, which we found to be especially well suited to identify state transitions. The evolution of spectral, timing, and radio parameters over years will be shown, including the rms-flux relation and the observation of a clearly correlated radio/x-ray flare. We also observed Cygnus X-1 with INTEGRAL, which allowed us to extend timing and spectral studies to higher energies, with XMM, which provided strong constraints on the parameters of the 6.4 keV iron fluorescence line, and with Chandra, which provided the most in depth study to date of the stellar wind in this system. Models based on the physical conditions in the accretion region are still mainly concentrated on the one or other of the observational areas but they are expanding: as an example I will review results from a jet model for the quantitative description of the radio through X-ray spectra. I will conclude with an outlook on a truly multi-instrument observing campaign of Cygnus X-1 that was performed in 2008 April in order to better constrain the jet models mentioned above (and provide a unique data set for cross-calibration).

Pottschmidt, Katja↗

Neutrino mass from Affleck-Dine leptogenesis and WIMP dark matter

Affleck-Dine (AD) mechanism for leptogenesis involves the cosmological evolution of a complex scalar field (AD field) that carries non-zero lepton number. We show how explicit lepton number breaking terms, which involve the AD field needed to implement this scenario combined with fermionic WIMP dark matter, can generate neutrino mass at the one loop level, thus providing a unified framework for solving four major puzzles of the standard model i.e. inflation, baryogenesis, dark matter and neutrino mass. We discuss some phenomenological implications of this model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Enhanced neutrino polarizability

We point out that neutrinos can have enhanced couplings to photons, if light (pseudo)scalar mediators are present, resulting in a potentially measurable neutrino polarizability. We show that the expected suppression from small neutrino masses can be compensated by the light mediator mass, generating dimension 7 Rayleigh operators at low scales. We explore the rich phenomenology of such models, computing in detail the constraints on the viable parameter space, spanned by the couplings of the mediator to neutrinos and photons. Finally, we build several explicit models that lead to an enhanced neutrino polarizability by modifying the inverse see-saw majoron, i.e., the pseudo-Nambu-Goldstone boson of the U(1) L global lepton number responsible for generating small neutrino masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Axion-Like Particles at the ILC Giga-Z

Axion-Like Particles (ALPs) are a generic, calculable, and well motivated extension of the Standard Model with far reaching phenomenology. ALPs that couple only to hypercharge represent one subset of such models, coupling the ALP to both photons and the Z boson. We examine the current constraints on this class of models with an ALP mass in the 100 MeV to 100 GeV range, paying particular attention to the region between 100 MeV to 10 GeV, a portion of parameter space which is ill constrained by current experiments. We show that the more than 109 Z bosons produced in the Giga-Z mode of the future ILC experiment, combined with the highly granular nature of its detectors, will allow for ALPs coupled to hypercharge to be discovered with couplings down to nearly 10 –5 GeV –1 over a range of masses from 0.4 to 50 GeV.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

QCD-collapsed domain walls: QCD phase transition and gravitational wave spectroscopy

Abstract For a discrete symmetry that is anomalous under QCD, the domain walls produced in the early universe from its spontaneous breaking can naturally annihilate due to QCD instanton effects. The gravitational waves generated from wall annihilation have their amplitude and frequency determined by both the discrete symmetry breaking scale and the QCD scale. The evidence of stochastic gravitational waves at nanohertz observed by pulsar timing array experiments suggests that the discrete-symmetry-breaking scale is around 100 TeV, assuming the domain-wall explanation. The annihilation temperature is about 100 MeV, which could naturally be below the QCD phase transition temperature. We point out that the QCD phase transition within some domains with an effective large QCDθangle could be a first-order one. To derive the phase diagram inθand temperature, we adopt a phenomenological linear sigma model with three quark flavors. The domain-wall explanation for the NANOGrav, EPTA, PPTA and CPTA results hints at a first-order QCD phase transition, which predicts additional gravitational waves at higher frequencies. If the initial formation of domain walls is also a first-order process, this class of domain-wall models predicts an interesting gravitational wave spectroscopy with frequencies spanning more than ten orders of magnitude, from nanohertz to 100 Hz.

Physics↗

Powder spreading, densification, and part deformation in binder jetting additive manufacturing

Binder jetting additive manufacturing (AM) can print complex structures in economical and scalable manner. Binder jetting AM comprises of deposition and weak binding of particles, known as green part, at room temperature and subsequent binder removal and sintering densification at high temperatures. However, during the densification (i.e., sintering), the part significantly deforms due to volume shrinkage. The deformation during sintering is difficult to predict, which prevents the widespread application of this technology. In this research, powder spreading simulation using discrete element method (DEM) was performed first to capture local variations in powder bed configuration. Second, finite element method (FEM) with a phenomenological continuum constitutive model was used to predict part shrinkage during the sintering process. DEM simulation showed variations in packing density, particle segregation, formation of uneven powder bed surface, and shift in particle size distribution (PSD). The sintering simulation modeled part deformation with a reasonable accuracy of 3% for solid-state sintering and intermediate liquid phase sintering. A demonstration case with non-uniform initial packing density showed that inhomogeneous green part density and PSD should be accounted for prediction of part deformation in binder jetting AM.

36 MATERIALS SCIENCE↗

Rapidity dependence of antideuteron coalescence in pp collisions at $\sqrt{s}$ = 13 TeV with ALICE

The production yields of antideuterons and antiprotons are measured in pp collisions at a center-of-mass energy of $\sqrt{s}$ = 13 TeV, as a function of transverse momentum ( p T ) and rapidity ( y ), for the first time rapidity-differentially up to | y | = 0.7. The measured spectra are used to study the p T and rapidity dependence of the coalescence parameter B 2 , which quantifies the coalescence probability of antideuterons. The p T and rapidity dependence of the obtained B 2 is extrapolated for p T > 1.7 GeV/ c and | y | = 0.7 using the phenomenological antideuteron production model implemented in Pythia 8.3 as well as a baryon coalescence afterburner model based on EPOS 3. Such measurements are of interest to the astrophysics community, since they can be used for the calculation of the flux of antinuclei from cosmic rays, in combination with coalescence models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗