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↗
Results and Interpretation of the WFRD ELS Distillation Down-Select Test Data
Testing of the Wiped-film Rotating-disk (WFRD) evaporator was conducted in support of the Exploration Life Support Distillation Down-Select Test. The WFRD was constructed at NASA Ames Research Center (ARC) and tested at NASA Marshall Space Flight Center (MSFC). The WFRD was delivered to MSFC in September 2009, and testing of solution #1 and solution #2 immediately following. Solution #1 was composed of humidity condensate and urine, including flush water and pretreatment chemicals. Solution #2 was composed of hygiene water, humidity condensate, and urine, including flush water and pretreatment chemicals. During the testing, the operational parameters of the WFRD were recorded and samples of the feed, brine, and product were collected and analyzed. The steady-state results of processing 414L of feed solution #1 and 1283L of feed solution #2 demonstrated that running the WFRD at a brine temperature of 50 C gave an average production rate of 16.7 L/hr. The specific energy consumption was 80.5W-hr/L. Data Analysis shows that the water recovery rates were 94% and 91%, respectively. The total mass of the WFRD as delivered to MSFC was 300 Kg. The volume of the tests stand rack was 1m width x 0.7m depth x 1.9m height or 1.5 cu m of which about half of the total volume is occupied by equipment. Chemical analysis of the distillate showed an average TOC of 20ppm, a pH of 3.5, and a conductivity of 98 mho/cm. The conductivity of the distillate, compared to the feed, decreased by 98.9%., the total ion concentration decreased by 99.6%, the total organics decreased 98.6%, and the metals were at or below detection limits
Delzeit, Lance Dean↗
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↗
The selection of imaging systems for planetary photography from space vehicles.
Discussion of the selection of a type of imaging system for a specific mission which will maximize the return of scientific data while keeping development risk and cost to acceptable limits. A representative example is given which shows that the parameters of the optimizing process range from the scientific objectives through the engineering and programming constraints of the spacecraft and mission, to the characteristics of the types of systems. The selections for all planetary missions flown to date have been imaging systems using image tube cameras. Film cameras and mechanical scan cameras, however, have unique advantages which should find application in planetary exploration.
Smokler, M. I.↗
Space Launch System Upper Stage Technology Assessment
The Space Launch System (SLS) is envisioned as a heavy-lift vehicle that will provide the foundation for future beyond low-Earth orbit (LEO) exploration missions. Previous studies have been performed to determine the optimal configuration for the SLS and the applicability of commercial off-the-shelf in-space stages for Earth departure. Currently NASA is analyzing the concept of a Dual Use Upper Stage (DUUS) that will provide LEO insertion and Earth departure burns. This paper will explore candidate in-space stages based on the DUUS design for a wide range of beyond LEO missions. Mission payloads will range from small robotic systems up to human systems with deep space habitats and landers. Mission destinations will include cislunar space, Mars, Jupiter, and Saturn. Given these wide-ranging mission objectives, a vehicle-sizing tool has been developed to determine the size of an Earth departure stage based on the mission objectives. The tool calculates masses for all the major subsystems of the vehicle including propellant loads, avionics, power, engines, main propulsion system components, tanks, pressurization system and gases, primary structural elements, and secondary structural elements. The tool uses an iterative sizing algorithm to determine the resulting mass of the stage. Any input into one of the subsystem sizing routines or the mission parameters can be treated as a parametric sweep or as a distribution for use in Monte Carlo analysis. Taking these factors together allows for multi-variable, coupled analysis runs. To increase confidence in the tool, the results have been verified against two point-of-departure designs of the DUUS. The tool has also been verified against Apollo moon mission elements and other manned space systems. This paper will focus on trading key propulsion technologies including chemical, Nuclear Thermal Propulsion (NTP), and Solar Electric Propulsion (SEP). All of the key performance inputs and relationships will be presented and discussed in light of the various missions. For each mission there are several trajectory options and each will be discussed in terms of delta-v required and transit duration. Each propulsion system will be modeled, sized, and judged based on their applicability to the whole range of beyond LEO missions. Criteria for scoring will include the resulting dry mass of the stage, resulting propellant required, time to destination, and an assessment of key enabling technologies. In addition to the larger metrics, this paper will present the results of several coupled sensitivity studies. The ultimate goals of these tools and studies are to provide NASA with the most mass-, technology-, and cost-effective in-space stage for its future exploration missions.
Holladay, Jon↗
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↗
NASA Laboratory Astrophysics Workshop 2006 Introductory Remarks
NASA Laboratory Astrophysics Workshop 2006, is the fourth in a series of workshops held at four year intervals, to assess the laboratory needs of NASA's astrophysics missions - past, current and future. Investigators who need laboratory data to interpret their observations from space missions, theorists and modelers, experimentalists who produce the data, and scientists who compile databases have an opportunity to exchange ideas and understand each other's needs and limitations. The multi-wavelength character of these workshops allows cross-fertilization of ideas, raises awareness in the scientific community of the rapid advances in other fields, and the challenges it faces in prioritizing its laboratory needs in a tight budget environment. Currently, we are in the golden age of Space Astronomy, with three of NASA s Great Observatories, Hubble Space Telescope (HST), Chandra X-Ray Observatory (CXO), and Spitzer Space Telescope (SST), in operation and providing astronomers and opportunity to perform synergistic observations. In addition, the Far Ultraviolet Spectroscopic Explorer (FUSE), XMM-Newton, HETE-2, Galaxy Evolution Explorer (GALEX), INTEGRAL and Wilkinson Microwave Anisotropy Probe (WMAP), are operating in an extended phase, while Swift and Suzaku are in their prime phase of operations. The wealth of data from these missions is stretching the Laboratory Astrophysics program to its limits. Missions in the future, which also need such data include the James Webb Space Telescope (JWST), Space Interferometry Mission (SIM), Constellation-X (Con-X), Herschel, and Planck. The interpretation of spectroscopic data from these missions requires knowledge of atomic and molecular parameters such as transition probabilities, f-values, oscillator strengths, excitation cross sections, collision strengths, which have either to be measured in the laboratory by simulating space plasma and interactions therein, or by theoretical calculations and modeling. Once the laboratory data are obtained, a key step to making them available to the observer is the creation and maintenance of critically compiled databases. Other areas of study, that are important for understanding planet formation, and for detection of molecules that are indicators of life, are also supported by the Laboratory Astrophysics program. Some examples are: studies of ices and dust grains in a space environment; nature and evolution of interstellar carbon-rich dust; and polycyclic aromatic hydrocarbons. In addition, the program provides an opportunity for the investigation of novel ideas, such as simulating radiative shock instabilities in plasmas, in order to understand jets observed in space. A snapshot of the currently funded program, mission needs, and relevance of laboratory data to interpreting observations, will be obtained at this workshop through invited and contributed talks and poster papers. These will form the basis for discussions in splinter groups. The Science Organization Committee will integrate the results of the discussions into a coherent White Paper, which will provide guidance to NASA in structuring the Laboratory Astrophysics program in subsequent years, and also to the scientific community in submitting research proposals to NASA for funding.
Hasan, Hashima↗
Global auroral imaging: Dynamics of Explorer Miss ion
An automated contour analysis of auroral images from the DESAI database is being developed. The goal is to be able to feed DESAI images to the software and let it automatically determine the inner and outer boundaries of the auroral oval of a given set of DESAI images. With these contours established, the software will determine the enclosed polar cap area and (model based) integrated magnetic flux through that area. Through the use of this automated system, it will be possible to analyze a large fraction of the DESAI database and correlate it with various other solar-terrestrial space plasma physics parameters and indices.
Frank, L. A.↗
A Rapid Target-Search Technique for KBO Exploration Trajectories
A rapid, grid-based, target-search algorithm is presented to find candidate se-quences of small-body encounters for mission design. The algorithm is especially relevant for cases with large combinatorial spaces. In this paper, the al-gorithm is used to identify candidate flyby sequences of multiple Kuiper-Belt Ob-jects (KBOs). Before reaching the first KBO in the sequence, the trajectories in this paper first use gravity assists at one or more of the giant planets to pump-uptheir orbital energy—reducing launch C3. The target-search algorithm consists offour sequential steps: (1) parameter definition, (2) fine-tuned Lambert-based gridsearch of ballistic trajectories visiting one KBO, (3) rapid, ∆V-based proximitysearch for additional KBOs using the state transition matrices (STMs), and (4) tra-jectory optimization of the most promising KBO sequences using the EvolutionaryMission Trajectory Generator (EMTG). The paper also defines an empirical-basedprocess to characterize the maximum step size for the target arrival dates in theLambert grid search. Lastly, a candidate mission to two KBOs is presented. Theresults indicate that the ∆V computed from the STM propagations is not repre-sentative of the final ∆V computed in EMTG; however, it does serve as a useful‘reachability’ metric to identify nearby KBOs.
Miguel Benayas Penas↗
Investigating the Adhesion Force of Lunar Regolith Particulates on Air Plasma Sprayed Alumina Coatings
Ceramic materials, often used to protect components due to their high strength, and wear resistance, have added benefits of being lightweight and providing multifunctional properties. They are, therefore, significant to provide durability and support during long-duration missions to the moon’s surface for rovers, landers, robotic systems, habitats, and many other components. Materials such as aluminum oxide with high mechanical strength and hardness can help to improve the durability of structures used in space exploration. Devices used for space exploration require the use of materials with the ability to withstand exposure to extreme environments. Lunar regolith is a constituent with the ability to adhere electrostatically and damage the components used to perform these missions due to adhesion of lunar dust projectiles that can cause delamination on surfaces, which may not be physically visible. The particulates of lunar dust are classified as corrosive material, leading to the degradation of structures. Aluminum oxide presents excellent resistance to different types of wear due to its high strength and hardness. Air plasma sprayed (APS) aluminum oxide coatings have demonstrated the potential to protect the surface to which they are applied. However, the parameters of roughness and porosity of the coatings need to be considered to establish if they can protect the components from extreme environments. Considering the electrostatic forces that the components are exposed to, the adhesion between the lunar regolith and the surface of the components needs to be investigated. In this work, the adhesion forces of lunar dust simulants with an average size of 30 𝜇m are investigated considering the roughness of the surface of the APS aluminum oxide. The centrifugal technique utilized here offers the advantage of establishing the adhesion force between particles with different shapes on smooth or rough surfaces. The simulants were deposited on the surface of APS aluminum oxide using an aerosolization technique to achieve a monolayer coating in three different locations across the specimen to determine the increments in adhesion force at the centrifuge. The roughness of the APS aluminum oxide was determined to be 2.257 𝜇m. The specimen was tested under an incremental centrifugal speed from 100 rpm to 3000 rpm for 20 seconds. Low magnification microscopy images were collected to cover a larger surface area of the test coating. The adhesion force was measured considering the distance from the centrifugal axis and the rotational speed. Due to the coating roughness, and the distance from the centrifugal axis, the results demonstrated a larger adhesion force in locations closer to the centrifugal axis. Smaller particles were entrapped within the roughness of the coating, and a stronger adhesion force was measured. In order to continue designing wear-resistant coating for structural protection in space missions, press-on experiments using a centrifuge will be performed. Future experiments will allow us to determine the design parameters for APS aluminum oxide coating to protect the structures from harsh space environments.
Perla Latorre-Suarez↗
Theta-Pinch Thruster for Piloted Deep Space Exploration
A new high-power propulsion concept that combines a rapidly pulsed theta-pinch discharge with upstream particle reflection by a magnetic mirror was evaluated under a Phase 1 grant awarded through the NASA Institute for Advanced Concepts. Analytic and numerical models were developed to predict the performance of a theta-pinch thruster operated over a wide range of initial gas pressures and discharge periods. The models indicate that a 1 m radius, 10 m long thruster operated with hydrogen propellant could provide impulse-bits ranging from 1 N-s to 330 N-s with specific impulse values of 7,500 s to 2,500 s, respectively. A pulsed magnetic field strength of 2 T is required to compress and heat the preionized hydrogen over a 10(exp -3) second discharge period, with about 60% of the heated plasma exiting the chamber each period to produce thrust. The unoptimized thruster efficiency is low, peaking at approximately 16% for an initial hydrogen chamber pressure of 100 Torr. The specific impulse and impulse-bit at this operating condition are 3,500 s and 90 N-s, respectively, and the required discharge energy is approximately 9x10(exp 6) J. For a pulse repetition rate of 10 Hz, the engine would produce an average thrust of 900 N at 3,500 s specific impulse. Combined with the electrodeless nature of the device, these performance parameters indicate that theta-pinch thrusters could provide unique, long-life propulsion systems for piloted deep space mission applications.
LaPointe, Mike R.↗
The Smallest Lunar Grains: Analytical TEM Characterization of the Sub-micron Size Fraction of a Mare Soil
The chemical composition, mineralogical type, and morphology of lunar regolith grains changes considerably with decreasing size, and below the approx.25 m size range the correlation between these parameters and remotely-sensed lunar surface properties connected to space weathering increases significantly. Although trends for these parameters across grain size intervals greater than 20 m are now well established, the 0 to 20 m size interval remains relatively un-subdivided with respect to variations in grain modal composition, chemistry and microstructure. Of particular interest in this size range are grains in the approximate < 1 m diameter class, whose fundamental properties are now the focus of lunar research pertaining to electrostatic grain transport, dusty plasmas, and lunar dust effects on crew health and exploration systems. In this study we have used analytical transmission electron microscopy (TEM) to characterize the mineralogy, microstructure and major element composition of grains below the 1 m size threshold in lunar soil 10084.
Thompson, M.↗
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↗
Unified Models of Turbulence and Nonlinear Wave Evolution in the Extended Solar Corona and Solar Wind
The PI (Cranmer) and Co-I (A. van Ballegooijen) made significant progress toward the goal of building a "unified model" of the dominant physical processes responsible for the acceleration of the solar wind. The approach outlined in the original proposal comprised two complementary pieces: (1) to further investigate individual physical processes under realistic coronal and solar wind conditions, and (2) to extract the dominant physical effects from simulations and apply them to a one-dimensional and time-independent model of plasma heating and acceleration. The accomplishments in the report period are thus divided into these two categories: 1a. Focused Study of Kinetic MHD Turbulence. We have developed a model of magnetohydrodynamic (MHD) turbulence in the extended solar corona that contains the effects of collisionless dissipation and anisotropic particle heating. A turbulent cascade is one possible way of generating small-scale fluctuations (easy to dissipate/heat) from a pre-existing population of low-frequency Alfven waves (difficult to dissipate/heat). We modeled the cascade as a combination of advection and diffusion in wavenumber space. The dominant spectral transfer occurs in the direction perpendicular to the background magnetic field. As expected from earlier models, this leads to a highly anisotropic fluctuation spectrum with a rapidly decaying tail in the parallel wavenumber direction. The wave power that decays to high enough frequencies to become ion cyclotron resonant depends on the relative strengths of advection and diffusion in the cascade. For the most realistic values of these parameters, though, there is insufficient power to heat protons and heavy ions. The dominant oblique waves undergo Landau damping, which implies strong parallel electron heating. We thus investigated the nonlinear evolution of the electron velocity distributions (VDFs) into parallel beams and discrete phase-space holes (similar to those seen in the terrestrial magnetosphere) which are an alternate means of heating protons via stochastic interactions similar to particle-particle collisions. 1b. Focused Study of the Multi-Mode Detailed Balance Formalism. The PI began to explore the feasibility of using the "weak turbulence," or detailed-balance theory of Tsytovich, Melrose, and others to encompass the relevant physics of the solar wind. This study did not go far, however, because if the "strong" MHD turbulence discussed above is a dominant player in the wind's acceleration region, this formalism is inherently not applicable to the corona. We will continue to study the various published approaches to the weak turbulence formalism, especially with an eye on ways to parameterize nonlinear wave reflection rates. 2. Building the Unified Model Code Architecture. We have begun developing the computational model of a time-steady open flux tube in the extended corona. The model will be "unified" in the sense that it will include (simultaneously for the first time) as many of the various proposed physical processes as possible, all on equal footing. To retain this generality, we have formulated the problem in two interconnected parts: a completely kinetic model for the particles, using the Monte Carlo approach, and a finite-difference approach for the self-consistent fluctuation spectra. The two codes are run sequentially and iteratively until complete consistency is achieved. The current version of the Monte Carlo code incorporates gravity, the zero-current electric field, magnetic mirroring, and collisions. The fluctuation code incorporates WKJ3 wave action conservation and the cascade/dissipation processes discussed above. The codes are being run for various test problems with known solutions. Planned additions to the codes include prescriptions for nonlinear wave steepening, kinetic velocity-space diffusion, and multi-mode coupling (including reflection and refraction).
Cranmer, Steven R.↗
Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics
The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted
Pohorille, Andrew↗
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↗