Emerging materials and design principles for wurtzite-type ferroelectrics
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Lee, Cheng-Wei↗
SEARCH · Engineering Papers
Results for “parameter space exploration”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Probabilistic locked mode predictor in the presence of a resistive wall and finite island saturation in tokamaks
We present a framework for estimating the probability of locking to an error field in a rotating tokamak plasma. This leverages machine learning methods trained on data from a mode-locking model, including an error field, resistive magnetohydrodynamics modeling of the plasma, a resistive wall, and an external vacuum region, leading to a fifth-order ordinary differential equation (ODE) system. It is an extension of the model without a resistive wall introduced by Akçay et al. [Phys. Plasmas 28, 082106 (2021)]. Tearing mode saturation by a finite island width is also modeled. We vary three pairs of control parameters in our studies: the momentum source plus either the error field, the tearing stability index, or the island saturation term. The order parameters are the time-asymptotic values of the five ODE variables. Normalization of them reduces the system to 2D and facilitates the classification into locked (L) or unlocked (U) states, as illustrated by Akçay et al., [Phys. Plasmas 28, 082106 (2021)]. This classification splits the control space into three regions: L̂, with only L states; Û, with only U states; and a hysteresis (hysteretic) region Ĥ, with both L and U states. In regions L̂ and Û, the cubic equation of torque balance yields one real root. Region Ĥ has three roots, allowing bifurcations between the L and U states. The classification of the ODE solutions into L/U is used to estimate the locking probability, conditional on the pair of the control parameters, using a neural network. We also explore estimating the locking probability for a sparse dataset, using a transfer learning method based on a dense model dataset.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Exploring Microphase Separation in Semi-Fluorinated Diblock Copolymers: A Combined Experimental and Modeling Investigation
We report the combined experimental and theoretical study of the bulk self-assembly behavior of polystyrene-blockpoly( 2,3,4,5,6-pentafluorostyrene) diblock copolymers. These block copolymers were designed to create highly antagonistic blocks (with a high Flory−Huggins interaction parameter, χ) with minimum disruption to the molecular construct (i.e., only replacing five hydrogen atoms with five fluorine atoms). A large library of diblock copolymers (41 samples) was synthesized by reversible addition− fragmentation chain transfer (RAFT) polymerization to map out a major portion of the phase space. All block copolymers exhibited narrow molecular weight distributions with dispersity (D) values between 1.07 and 1.32, and subsequent thermal annealing revealed phase separation into well-defined nanoscale morphologies depending on their molecular composition, as determined from small-angle X-ray scattering and transmission electron microscopy analyses, with an experimental phase diagram being constructed. The χ value at 25 °C for this block copolymer was estimated to be 0.2 using strong segregation theory, based on trends in phase-separated domain spacing and interfacial width. When applying theoretical approaches, the majority of the domain spacing data trends were captured by a coil−coil diblock copolymer model; however, a better fit to the data for samples with shorter fluorinated blocks was obtained with a rod−coil model, indicating that the chains in these fluorinated blocks likely have a higher inherent stiffness and were thus rod-like. This observation demonstrates that, due to the very high value of χ, a transition from coil−coil to rod−coil behavior can be obtained purely by reducing the length of the stiffer of the two blocks and without varying temperature or the chemical composition of the polymers. Here, this work showcases the presence of strong microphase separation within AB diblock copolymers despite the relatively similar chemical composition of the constituent “A” and “B” units, with a clear transition from rod−coil to coil−coil segregation behavior.
RAFT polymerization↗
Space Charge Driven Emittance Growth and the Effect of Octupoles in IOTA
The Integrable Optics Test Accelerator (IOTA) at Fermilab is a small machine dedicated to a broad frontier accelerator physics program. An important aspect of this program is to investigate the potential benefits of the resonance free tune spread achievable with integrable optics to store and accelerate high intensity proton beams for which space charge is significant. In this context, a good understanding of proton beam emittance growth and particle loss mechanisms is essential. Assuming nominal design parameters, simulations show that for a bunched beam, the bulk of emittance growth takes place immediately following injection, typically within tens of turns. We attempt to account for this growth using a simplified RMS mismatch theory; some of its limitations and possible improvements are briefly discussed. We then compare theoretical predictions to simulations performed using the PIC code pyORBIT. Further exploring ways to mitigate emittance growth and reduce particle loss, we compare two beam matching strategies: (1) matching at the injection point (2) matching at the center of the nonlinear (octupole) insertion region where $\beta_x = \beta_y$. To observe how nonlinearity affects emittance growth and whether it dominates growth due to mismatch, we track two different distributions. Finally, we explore the potential of using octupoles in a quasi-integrable configuration to mitigate growth using a variety of initial distributions both at reduced and full intensities.
43 PARTICLE ACCELERATORS↗
The crystal structure of Fe2S at 90 GPa based on single-crystal X-ray diffraction techniques
The Fe-S system was explored in a laser-heated diamond-anvil cell at 89(2) GPa and 2380(120) K to better understand the phase stability of Fe 2 S. Upon temperature quenching, crystallites of Fe 2 S were identified, and their structure was investigated using single-crystal X-ray diffraction techniques. At these conditions, Fe 2 S adopts the C23 structure (anti-PbCl 2 , Co 2 P) with space group Pnma (Z = 4). This structure consists of columns of corner-sharing, FeS 4 tetrahedra, and columns of edge-sharing FeS 5 square pyramids linked along edges in the b direction. Sulfur is in ninefold coordination with Fe. This work marks the first high-pressure structural solution and refinement of Fe 2 S synthesized in a multigrain Fe+FeS sample at 90 GPa and 2400 K and establishes the stability of C23 Fe 2 S at these conditions. A previous powder diffraction study reports an orthorhombic Fe 2 S phase with a C37, Co 2 Si-like unit cell above 190 GPa. A C23–C37 structural transition is inferred to explain the previously observed unit-cell parameters at higher pressures and temperatures. These results highlight the utility of applying single-crystal X-ray diffraction techniques to high P-T multigrain samples to explore the structural properties of iron-rich phases in Earth and planetary cores.
36 MATERIALS SCIENCE↗
Kilonova Detectability with Wide-field Instruments
Abstract Kilonovae are ultraviolet, optical, and infrared transients powered by the radioactive decay of heavy elements following a neutron star merger. Joint observations of kilonovae and gravitational waves can offer key constraints on the source of Galactic r -process enrichment, among other astrophysical topics. However, robust constraints on heavy element production require rapid kilonova detection (within ∼1 day of merger) as well as multiwavelength observations across multiple epochs. In this study, we quantify the ability of 13 wide-field-of-view instruments to detect kilonovae, leveraging a large grid of over 900 radiative transfer simulations with 54 viewing angles per simulation. We consider both current and upcoming instruments, collectively spanning the full kilonova spectrum. The Roman Space Telescope has the highest redshift reach of any instrument in the study, observing kilonovae out to z ∼ 1 within the first day post-merger. We demonstrate that BlackGEM, DECam, GOTO, the Vera C. Rubin Observatory’s LSST, ULTRASAT, VISTA, and WINTER can observe some kilonovae out to z ∼ 0.1 (∼475 Mpc), while DDOTI, MeerLICHT, PRIME, Swift/UVOT, and ZTF are confined to more nearby observations. Furthermore, we provide a framework to infer kilonova ejecta properties following nondetections and explore variation in detectability with these ejecta parameters.
79 ASTRONOMY AND ASTROPHYSICS↗
Opportunistic CP violation
In the electroweak sector of the Standard Model, CP violation arises through a very particular interplay between the three quark generations, as described by the Cabibbo-Kobayashi-Maskawa (CKM) mechanism and the single Jarlskog invariant J 4 . Once generalized to the Standard Model Effective Field Theory (SMEFT), this peculiar pattern gets modified by higher-dimensional operators, whose associated Wilson coefficients are usually split into CP-even and odd parts. However, CP violation at dimension four, i.e., at the lowest order in the EFT expansion, blurs this distinction: any Wilson coefficient can interfere with J 4 and mediate CP violation. In this paper, we study such interferences at first order in the SMEFT expansion, $\mathcal{O}(1/Λ^2)$, and we capture their associated parameter space via a set of 1551 linear CP-odd flavor invariants. This construction describes both new, genuinely CP-violating quantities as well as the interference between J 4 and CP-conserving ones. We call this latter possibility opportunistic CP violation. Relying on an appropriate extension of the matrix rank to Taylor expansions, which we dub Taylor rank, we define a procedure to organize the invariants in terms of their magnitude, so as to retain only the relevant ones at a given precision. We explore how this characterization changes when different assumptions are made on the flavor structure of the SMEFT coefficients. Interestingly, some of the CP-odd invariants turn out to be less suppressed than J 4 , even when they capture opportunistic CPV, demonstrating that CP-violation in the SM, at dimension 4, is accidentally small.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Fuzzy spheres in stringy matrix models: quantifying chaos in a mixed phase space
We consider a truncation of the BMN matrix model to a configuration of two fuzzy spheres, described by two coupled non-linear oscillators dependent on the mass parameter μ. The classical phase diagram of the system generically (μ ≠ 0) contains three equilibrium points: two centers and a center-saddle; as μ → 0 the system exhibits a pitchfork bifurcation. We demonstrate that the system is exactly integrable in quadratures for μ = 0, while for very large values of μ, it approaches another integrable point characterized by two harmonic oscillators. The classical phase space is mixed, containing both integrable islands and chaotic regions, as evidenced by the classical Lyapunov spectrum. At the quantum level, we explore indicators of early and late time chaos. The eigenvalue spacing is best described by a Brody distribution, which interpolates between Poisson and Wigner distributions; it dovetails, at the quantum level, the classical results and reemphasizes the notion that the quantum system is mixed. We also study the spectral form factor and the quantum Lyapunov exponent, as defined by out-of-time-ordered correlators. These two indicators of quantum chaos exhibit weak correlations with the Brody distribution. We speculate that the behavior of the system as μ → 0 dominates the spectral form factor and the quantum Lyapunov exponent, making these indicators of quantum chaos less effective in the context of a mixed phase space.
AdS-CFT correspondence↗
Role of the Hubble scale in the weak lensing versus CMB tension
Here, we explore a reparametrization of the lensing amplitude tension between weak lensing (WL) and cosmic microwave background (CMB) data and its implications for a joint resolution with the Hubble tension. Specifically, we focus on the lensing amplitude over a scale of 12 Mpc in absolute distance units using a derived parameter S 12 and show its constraints from recent surveys in comparison with Planck 2018. In WL alone, we find that the absolute distance convention correlates S 12 with H 0 . Accounting for this correlation in the 3D space S 12 ×w m ×ℎ reproduces the usual levels of 2~3σ tension inferred from S 8 ×Ω m . Additionally, we derive scaling relations in the S 8 ×ℎ and S 12 ×ℎ planes that are allowed by ΛCDM and extrapolate target scalings needed to solve the H 0 and lensing-amplitude tensions jointly in a hypothetical beyond-ΛCDM model. As a test example, we quantify how the early dark energy scenario compares with these target scalings. Useful fitting formulas for S 8 and S 12 as a function of other cosmological parameters in ΛCDM are provided, with 1% precision.
79 ASTRONOMY AND ASTROPHYSICS↗
Simulation of Proton Beams in the AGS Booster with Space Charge
As higher intensity accelerators are designed, built and operated, the resonances and instabilities caused by space charge can become dominant effects in limiting the intensity of the beam that can be delivered. Particle loss has many causes but space charge can be a major factor in reducing beam intensity and generating emittance growth, particularly at low energies and in the lower energy stages of accelerators such as the AGS Booster. Successful operation relies on a good understanding of basic particle dynamics and it becomes an important challenge to ascertain how the beam evolves when charged particles experience both external forces through the fields of the magnets combined with internal forces through Coulomb interactions. A possible approach to such a study is to include calculations of space charge in computer simulation codes that track the motions of charged particles in 6D phase space. Unfortunately, repeated space charge calculations in 6D phase space are computationally intensive even with the most modern computing facilities. Study with traditional models of space charge is then either limited to a short real-time scale, or sacrifices accuracy and often omits some of the physics. The study described in this report attempts to explore all aspects of the Booster from injection, through RF capture and acceleration to the extraction energy. The simulations are allied to real machine settings. They do not attempt to model effects that are well known and for which accurate experimental data are available, but they try in many cases to extend beyond the normal Booster parameter range so as to understand the limitations on operations and suggest areas for improvement.
43 PARTICLE ACCELERATORS↗
On the ATLAS top mass measurements and the potential for stealth stop contamination
The discovery of the stop — the Supersymmetric partner of the top quark — is a key goal of the physics program enabled by the Large Hadron Collider. Although much of the accessible parameter space has already been probed, all current searches assume the top mass is known. This is relevant for the “stealth stop” regime, which is characterized by decay kinematics that force the final state top quark off its mass shell; such decays would contaminate the top mass measurements. We investigate the resulting bias imparted to the template method based ATLAS approach. A careful recasting of these results shows that effect can be as large as 2.0 GeV, comparable to the current quoted uncertainty on the top mass. Thus, a robust exploration of the stealth stop splinter requires the simultaneous consideration of the impact on the top mass. Additionally, we explore the robustness of the template technique, and point out a simple strategy for improving the methodology implemented for the semi-leptonic channel.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Provenance infrastructure for multimodal x-ray experiments and reproducible analysis
Exploring relationships between material structures and desired properties for material discovery and synthesis requires mining machine-readable databases and linking experimental data with sufficiently rich annotations. There are vast gaps both in these data sources and in the connections between them. We present a provenance-based data management and analysis framework that enables capturing, persisting, and reanalyzing experimental data from the BNL National Synchrotron Light Source II (NSLS-II). Our system leverages NSLS-II Bluesky for experimental data acquisition, captures analysis parameters, and enriches the search space with results from the scientific literature. We describe in detail the challenges and benefits of data-driven approaches when comparing computational and experimental data, such as the multiple possible scenarios of interest in often ill-posed inverse problems and missing data. Our infrastructure utilizes the NSLS-II event model and includes discovery mechanisms across multiple beamlines. A text and data mining module using natural language processing classification techniques extracts relevant information from the literature that is added to data sources. We describe a provenance acquisition and analysis rerun workflow based on a directed acyclic graph that keeps track of process and data provenance and allows to replay analysis.
97 MATHEMATICS AND COMPUTING↗
DESI 2024: Constraints on physics-focused aspects of dark energy using DESI DR1 BAO data
Baryon acoustic oscillation data from the first year of the Dark Energy Spectroscopic Instrument (DESI) provide near percent-level precision of cosmic distances in seven bins over the redshift range z=0.1–4.2. Here, this paper is the follow-up to the original DESI BAO cosmology paper [A. G. Adame et al. (DESI Collaboration), arXiv:2404.03002], which considered the conventional w 0 w a cold dark matter (CDM) model. We use the novel DESI data, together with other cosmic probes, to constrain the background expansion history using some well-motivated physical classes of dark energy. In particular, we explore three physics-focused behaviors of dark energy from the equation of state and energy density perspectives: the thawing class (matching many simple quintessence potentials), emergent class (where dark energy comes into being recently, as in phase transition models), and mirage class [where phenomenologically the distance to cosmic microwave background (CMB) last scattering is close to that from a cosmological constant Λ despite dark energy dynamics]. All three classes fit the data at least as well as Λ CDM, and indeed can improve on it by Δχ 2 ≈ –5 to –17 for the combination of DESI BAO with CMB and supernova data while having one more parameter. The mirage class does essentially as well as w 0 w a CDM and exhibits moderate to strong Bayesian evidence preference with respect to Λ CDM. These classes of dynamical behaviors highlight worthwhile avenues for further exploration into the nature of dark energy.
79 ASTRONOMY AND ASTROPHYSICS↗
Modeling Redshift-space Clustering with Abundance Matching
Abstract We explore the degrees of freedom required to jointly fit projected and redshift-space clustering of galaxies selected in three bins of stellar mass from the Sloan Digital Sky Survey Main Galaxy Sample (SDSS MGS) using a subhalo abundance matching (SHAM) model. We employ emulators for relevant clustering statistics in order to facilitate our analysis, leading to large speed gains with minimal loss of accuracy. We are able to simultaneously fit the projected and redshift-space clustering of the two most massive galaxy samples that we consider with just two free parameters: scatter in stellar mass at fixed SHAM proxy, and the dependence of the SHAM proxy on dark matter halo concentration. We find some evidence for models that include velocity bias, but including orphan galaxies improves our fits to the lower-mass samples significantly. We also model the clustering signals of specific star formation rate (sSFR) selected samples using conditional abundance matching (CAM). We obtain acceptable fits to projected and redshift-space clustering as a function of sSFR and stellar mass using two CAM variants, although the fits are worse than for stellar-mass-selected samples alone. By incorporating nonunity correlations between the CAM proxy and sSFR, we are able to resolve previously identified discrepancies between CAM predictions and SDSS observations of the environmental dependence of quenching for isolated central galaxies.
79 ASTRONOMY AND ASTROPHYSICS↗
Cross Correlating Cosmological Probes for LSST & CMB-S4
The upcoming years will be populated with state-of-the-art Stage-IV cosmological surveys. This paper forecasts the cosmological information we expect to constrain using probes from the Rubin Observatory Legacy Survey of Space and Time (LSST) and CMB-S4. We explore the effectiveness of different large-scale-structure probes, including the power spectra of galaxy weak lensing, galaxy position, Cosmic Microwave Background (CMB) lensing, and their cross-correlations. We use correlated lognormal simulations with the expected redshift distributions, galaxy number densities, and noise levels of the LSST survey. For CMB weak lensing, we use CMB-S4 lensing simulations with anticipated noise levels to obtain the expected error bars of each probe. We investigate the constraining power of the cosmological parameters for the individual probes and their combinations in an idealized scenario. We do not take into account astrophysical and observational parameters such as galaxy bias variations and photometric redshift un- certainties. Overall, we find the auto-correlated probes hold stronger constraints on cosmological parameters than the cross-correlated probes due to kernel differences. However, the cross-correlation of galaxy clustering and CMB lensing is very comparable to the auto-correlation of galaxy clustering with only an 8% stronger constraint in S8. It will be important for future surveys to use these auto and cross probes in combination due to the different astrophysical and systematic effects involved in CMB and late-time galaxy data. When systematics are added to this analysis, the cross probes will serve as a check for systematic biases in individual probes. In addition, we find a significant increase in constraint using all four probes in combination. This can be illustrated by the increase in constraint of S8 by 93.2% comparing galaxy clustering auto-correlation to a combination of all probes. Our study is a first step toward forecasting the high-precision cosmological constraints we expect to obtain using the next generation of large-scale structure probes.
Gibbins, Grace↗
Gamma rays and gravitational waves from inelastic Higgs portal dark matter
We explore a simple and predictive dark matter scenario involving a complex scalar field, ϕ , coupled to the Higgs portal with no additional field content. In the UV, the field possesses a global U ( 1 ) symmetry which is broken by mass terms and Higgs portal interactions. In the mass basis, the complex field splits into a pair of real scalars with a small mass splitting (in analogy to pseudo-Dirac fermions), such that the Higgs portal acquires both diagonal and off-diagonal terms with respect to these eigenstates. In the parameter space where the off-diagonal interaction predominates, this scenario is safe from direct detection constraints. Moreover, this model provides a viable explanation for the longstanding Galactic Center γ -ray excess. Additionally, this model influences the Higgs potential in a way that could facilitate a strong first-order electroweak phase transition in the early Universe, potentially leading to a stochastic gravitational wave background that could fall within the reach of upcoming space-based detectors.
Hooper, Dan [Wisconsin U., Madison] (ORCID:0009000↗
Discoveries in Blast-Driven Turbulence of Astrophysical Relevance
The fluid mixing caused by variable-density instabilities is important in a wide variety of scenarios from ocean mixing and astrophysical phenomena to nuclear fusion techniques and atomic weapons. This thesis explores the mixing resulting from a specific instability known as the Blast Driven Instability (BDI). This work investigates the variable density mixing in an explosively driven environment due to the fluid instabilities at the material interfaces. Specifically, diverging Richtmyer-Meshkov (impulsive-acceleration environment) and Rayleigh-Taylor (variable-acceleration environment) instabilities (present in supernova and inertial confinement fusion) are studied using advanced high-speed diagnostics in carefully designed laboratory experiments. The BDI morphology is presented through a time development of Mie scattering images, and steps through the parameter space (varying density ratio and driver speed), highlighting the development of the structures that form during mixing. A scaling criterion is used to relate the two systems of vastly different spatiotemporal scales. Velocity fields in the BDI have been captured for the first time using the high temporal resolution PIV technique. Subsequent analysis of the dynamics of the instability from the velocity fields illustrates the distribution of kinetic energy, the transition to turbulence, and the characteristic growth of the instability are discussed. This study furthers understanding of how blast-driven instability pertains to supernova and inertial confinement fusion science. The morphology of the BDI has been characterized for the first time. This work steps through the parameter space covered in Mie scattering experiments, and how the different parameters contribute to development of structures and mixing. It also examines a scaling of the Atwood number for expanding predictive capabilities to other experimental conditions and simulations. The first collection of velocity fields acquired for the BDI are recorded, and subsequent analysis evaluating the distribution of kinetic energy throughout space and time for two density ratios from the overall parameter space, as well as the transition to turbulence, estimated from a Reynolds number calculated based on momentum mixing are all presented. This information is useful in advancing the development of models to predict physics of high energy density applications where experiments are not always readily available. This research has successfully demonstrated understanding for the time criteria defining regimes where the shock driven (Richtmyer-Meshkov instability) and the buoyancy driven (Rayleigh-Taylor instability) dominates through a parametric study of density variation (Atwood number) and driver speed (Mach number). All this furthers understanding of how the BDI pertains to SN and ICF.
79 ASTRONOMY AND ASTROPHYSICS↗
Cross Correlating Cosmological Probes for Stage-IV Surveys
The next few years will be populated with Stage-IV cosmological surveys. This paper forecasts the cosmological information we expect to constrain using probes from the Rubin Observatory Legacy Survey of Space and Time (LSST) and CMB Stage-4 surveys. We explore the effectiveness of different large-scale-structure probes, including the power spectra of galaxy weak lensing, galaxy positions, Cosmic Microwave Background (CMB) lensing, and their cross-correlation. We use correlated lognormal simulations with the expected redshift distribution, number density of galaxies, and noise levels of the LSST survey, as well as CMB-S4 lensing simulations with anticipated noise levels, to obtain the expected error bars of each of the probes. We investigate the constraining power of the cosmological parameters for the individual probes and their combinations in an idealized scenario, where we do not account for astrophysical and observational parameters such as galaxy bias variations and photometric redshift uncertainties.
Gibbins, Grace↗