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DOE OSTI2020

Electroweak Phase Transition with Spontaneous $Z_2$-Breaking

This work investigates a simple, representative extension of the Standard Model with a real scalar singlet and spontaneous $Z_2$ breaking, which allows for a strongly first-order phase transition, as required by electroweak baryogenesis. We perform analytical and numerical calculations that systematically include one-loop thermal effects, Coleman-Weinberg corrections, and daisy resummation, as well as evaluation of bubble nucleation. We study the rich thermal history and identify the conditions for a strongly first-order electroweak phase transition with nearly degenerate extrema at zero temperature. This requires a light scalar with mass below 50 GeV. Exotic Higgs decays, as well as Higgs coupling precision measurements at the LHC and future collider facilities, will test this model. Additional information may be obtained from future collider constraints on the Higgs self-coupling. Gravitational-wave signals could potentially be probed by future gravitational wave experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

CFTs blueshift tensor fluctuations universally

The strong constraints of conformal symmetry cause any nearly-conformal sector to blueshift tensor fluctuations in cosmology. Hidden sectors with approximate conformal symmetry, which may be quite large, are a well-motivated extension of physics beyond the Standard Models of particle physics and cosmology. They can therefore lead to a detectable shift in the tensor tilt for next-generation CMB and gravitational wave experiments. Here, we compute the leading-order contribution to the in-in graviton two-point function from virtual loops in such sectors to demonstrate this universal effect. In units where a single conformally-coupled scalar is 1, limits from Stage-IV CMB experiments could bound the size of this extra sector to be smaller than ~10 15 , under a plausible calculational assumption backed by a simple power counting argument. This would be sufficient to rule out N-Naturalness as a complete resolution of the hierarchy problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

3-3-1 Self interacting dark matter and the galaxy core-cusp problem

The core–cusp problem remains a challenging discrepancy between observations and simulations in the standard Λ CDM model for the formation of galaxies. The problem is that Λ CDM simulations predict a steep power-law mass density profile at the center of galactic dark matter halos. However, observations of dwarf galaxies in the Local Group reveal a density profile consistent with a nearly flat distribution of dark matter near the center. A number of solutions to this dilemma have been proposed. In this paper we summarize investigations into the possibility that the dark matter particles themselves self interact and scatter. Such self-interacting dark matter (SIDM) particles can smooth out the dark-matter profile in high-density regions. We also review the theoretical proposal that self-interacting dark matter may arise as an additional Higgs scalar in the 3–3–1 extension of the Standard Model (SM). We present new simulations of galaxy formation and evolution for this formulation of self-interacting dark matter. Current constraints on this self-interacting dark matter are then summarized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Weak scale as a trigger

Does the value of the Higgs mass parameter affect the expectation value of local operators in the Standard Model? For essentially all local operators the answer to this question is "no", and this is one of the avatars of the hierarchy problem: nothing is "triggered" when the Higgs mass parameter crosses zero. In this letter, we explore settings in which Higgs mass parameters $can$ act as a "trigger" for some local operators ${\cal O}_T$. In the Standard Model, this happens for ${\cal O}_T = {\rm Tr} (G \tilde G)$. We also introduce a "type-0" two Higgs doublet model, with a $Z_4$ symmetry, for which ${\cal O}_T = H_1 H_2$ is triggered by the Higgs masses, demanding the existence of new Higgs states necessarily comparable to or lighter than the weak scale, with no wiggle room to decouple them whatsoever. Surprisingly, this model is not yet entirely excluded by collider searches, and will be incisively probed by the high-luminosity run of the LHC, as well as future Higgs factories. We also discuss a possibility for using this trigger to explain the origin of the weak scale, invoking a landscape of extremely light, weakly interacting scalars $\phi_i$, with a coupling to ${\cal O}_T$ needed to make it possible to find vacua with small enough cosmological constant. The weak scale trigger links the tuning of the Higgs mass to that of the cosmological constant, while coherent oscillations of the $\phi_i$ can constitute dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Application of dilaton chiral perturbation theory to N f = 8 , SU(3) spectral data

We extend dilaton chiral perturbation theory (dChPT) to include the taste splittings in the Nambu-Goldstone sector observed in lattice simulations of near-conformal theories with staggered fermions. We then apply dChPT to a recent simulation by the LSD collaboration of the SU(3) gauge theory with 8 fermions in the fundamental representation, which is believed to exhibit near-conformal behavior in the infrared, and in which a light singlet scalar state, nearly degenerate with the pions, has been found. We find that the mesonic sector of this theory can be successfully described by dChPT, including, in particular, the mesonic taste splittings found in the simulation. We confirm that current simulations of this theory are in the "large-mass" regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets

We present a model-assisted density fitting (MADF) basis set generator, an algorithm for generating primitive atomic Gaussian density fitting (DF) basis sets (DFBSs) from a contracted Gaussian orbital basis set (OBS). The MADF algorithm produces DFBSs suitable for accurate robust DF approximation of 2-particle interactions in mean-field and correlated electronic structures. The algorithm is designed to (a) saturate the OBS product space by a large regularized set of primitive solid-harmonic Gaussian shells with nonuniform distribution of exponents, followed by (b) pruning of the shells according to their contributions to the 2- body energy of a correlated atomic ensemble. Building the DFBS generator model almost exclusively on mathematical and physical principles allows one to limit the number of parameters that control the density fitting error to three, with a single set of parameters sufficient for computations with all basis cardinal numbers, with and without correlation of core electrons, with and without scalar and spin-dependent relativistic effects, spanning almost all of the Periodic Table. Performance assessment included basis sets up to quadruple-ζ quality from several major basis set families, using molecules composed of main-group, d-block, and f-block elements. The resulting DF errors in Hartree−Fock and second-order MP2 energies (with relativistic all-electron treatments, when appropriate) were on the order of 20 and 10 μE h per electron, respectively.

Approximation↗
DOE OSTI2020

The cosmological bootstrap: inflationary correlators from symmetries and singularities

Scattering amplitudes at weak coupling are highly constrained by Lorentz invariance, locality and unitarity, and depend on model details only through coupling constants and the particle content of the theory. For example, four-particle amplitudes are analytic for contact interactions and have simple poles with appropriately positive residues for tree-level exchange. In this paper, we develop an understanding of inflationary correlators which parallels that of flat-space scattering amplitudes. Specifically, we study slow-roll inflation with weak couplings to extra massive particles, for which all correlation functions are controlled by an approximate conformal symmetry on the boundary of the spacetime. After systematically classifying all possible contact terms in de Sitter space, we derive an analytic expression for the four-point function of conformally coupled scalars mediated by the tree-level exchange of massive scalars. Conformal symmetry implies that the correlator satisfies a pair of differential equations with respect to spatial momenta, encoding bulk time evolution in purely boundary terms. The absence of unphysical singularities (and the correct normalization of physical ones) completely fixes this correlator. Moreover, a “spin-raising” operator relates it to the correlators associated with the exchange of particles with spin, while “weight-shifting” operators map it to the four-point function of massless scalars. We explain how these de Sitter four-point functions can be perturbed to obtain inflationary three-point functions. Using our formalism, we reproduce many classic results in the literature, such as the three-point function of slow-roll inflation, and provide a complete classification of all inflationary three- and four-point functions arising from weakly broken conformal symmetry. Remarkably, the inflationary bispectrum associated with the exchange of particles with arbitrary spin is completely characterized by the soft limit of the simplest scalar-exchange four-point function of conformally coupled scalars and a series of contact terms. Finally, we demonstrate that the inflationary correlators contain flat-space scattering amplitudes via a suitable analytic continuation of the external momenta, which can also be directly connected with the signals for particle production seen in the squeezed limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Carving out OPE space and precise O(2) model critical exponents

We develop new tools for isolating CFTs using the numerical bootstrap. A “cutting surface” algorithm for scanning OPE coefficients makes it possible to find islands in high-dimensional spaces. Together with recent progress in large-scale semidefinite programming, this enables bootstrap studies of much larger systems of correlation functions than was previously practical. We apply these methods to correlation functions of charge-0, 1, and 2 scalars in the 3d O(2) model, computing new precise values for scaling dimensions and OPE coefficients in this theory. Our new determinations of scaling dimensions are consistent with and improve upon existing Monte Carlo simulations, sharpening the existing decades-old 8σ discrepancy between theory and experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Corners and islands in the S-matrix bootstrap of the open superstring

We bootstrap the Veneziano superstring amplitude in 10 dimensions from the bottom-up. Starting with the most general maximally supersymmetric Yang-Mills EFT, we input information about the lowest-lying massive states, which we assume contribute via tree-level exchanges to the 4-point amplitude. We show the following: (1) if there is only a single state at the lowest mass, it must be a scalar. (2) Assuming a string-inspired gap between the mass of this scalar and any other massive states, the allowed region of Wilson coefficients has a new sharp corner where the Veneziano amplitude is located. (3) Upon fixing the next massive state to be a vector, the EFT bounds have a one-parameter family of corners; these would correspond to models with linear Regge trajectories of varying slopes, one of which is the open superstring. (4) When the ratio between the massive scalar coupling and the tr F 4 coefficient is fixed to its string value, the spin and mass of the second massive state is determined by the bootstrap and the Veneziano amplitude is isolated on a small island in parameter space. Finally, we compare with other recent bootstraps approaches, both the pion model and imposing Regge-inspired maximal spin constraints.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Mapping structural heterogeneity at the nanoscale with scanning nano-structure electron microscopy (SNEM)

Here, in this work, we explore the use of scanning electron diffraction (also known as 4D-STEM) coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order (structure and chemistry) as a function of position in a complex multicomponent system, a hot rolled, Ni-encapsulated, Zr 65 Cu 17.5 Ni 10 Al 7.5 bulk metallic glass (BMG), with a spatial resolution of 3 nm. We show that it is possible to gain insight into the chemistry and chemical clustering/ordering tendency in different regions of the sample, including in the vicinity of nano-scale crystallites that are identified from virtual dark field images and in heavily deformed regions at the edge of the BMG. In addition to simpler analysis, unsupervised machine learning was used to extract partial PDFs from the material, modeled as a quasi-binary alloy, and map them in space. These maps allowed key insights not only into the local average composition, as validated by EELS, but also a unique insight into chemical short-range ordering tendencies in different regions of the sample during formation. The experiments are straightforward and rapid and, unlike spectroscopic measurements, don’t require energy filters on the instrument. We spatially map different quantities of interest (QoI’s), defined as scalars that can be computed directly from positions and widths of ePDF peaks or parameters refined from fits to the patterns. We developed a flexible and rapid data reduction and analysis software framework that allows experimenters to rapidly explore images of the sample on the basis of different QoI’s. The power and flexibility of this approach are explored and described in detail. Because of the fact that we are getting spatially resolved images of the nanoscale structure obtained from ePDFs we call this approach scanning nano-structure electron microscopy (SNEM), and we believe that it will be powerful and useful extension of current 4D-STEM methods.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Warm inflation with a heavy QCD axion

We propose the first model of warm inflation in which the particle production emerges directly from coupling the inflaton to Standard Model particles. Warm inflation, an early epoch of sustained accelerated expansion at finite temperature, is a compelling alternative to cold inflation, with distinct predictions for inflationary observables such as the amplitude of fluctuations, the spectral tilt, the tensor-to-scalar ratio, and non-gaussianities. In our model a heavy QCD axion acts as the warm inflaton whose coupling to Standard Model gluons sources the thermal bath during warm inflation. Axion-like couplings to non-Abelian gauge bosons have been considered before as a successful microphysical theory with emerging thermal friction that can maintain finite temperature during inflation via sphaleron heating. However, the presence of light fermions charged under the non-Abelian group suppresses particle production, hindering a realization of warm inflation by coupling to QCD. We point out that the Standard Model quarks can be heavy during warm inflation if the Higgs field resides in a high-energy second minimum which restores efficient sphaleron heating. A subsequent large reheating temperature is required to allow the Higgs field to relax to its electroweak minimum. Exploring a scenario in which hybrid warm inflation provides the large reheating temperature, we show that future collider and beam dump experiments have discovery potential for a heavy QCD axion taking the role of the warm inflaton.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

3⁢𝑄 magnetic order with spatially alternating spin scalar chirality in overdoped C⁢o 0.336⁢ Ta⁢S 2

C⁢o 𝑥 ⁢Ta⁢S 2 (𝑥≈1/3) exhibits a spontaneous Hall effect from spin texture in antiferromagnets, with a tetrahedral triple-Q (3Q) order and uniform spin scalar chirality. Upon Co overdoping (𝑥>1/3), it undergoes a shift in magnetic ordering vectors from 𝐐 m =(1/2, 0, 0) to (1/3, 0, 0). Interestingly, the spontaneous Hall effect disappeared in the overdoped regime, which was originally attributed to the loss of 3Q order. However, a question remains whether a new type of 3Q order can exist with alternating chirality in the overdoped regime. To address this, we investigated C⁢o 0.336⁢ Ta⁢S 2 using inelastic neutron scattering (INS), neutron diffraction, and optical dichroism, and found that INS data and spin-wave simulations support a 3Q order with alternating chirality. Moreover, neutron diffraction data show field-independent Bragg peaks, while linear dichroism detects no in-plane anisotropy, consistent with threefold rotation symmetry. Our data support the scenario of an alternating-chirality 3Q order in C⁢o 0.336 ⁢Ta⁢S 2 , canceling the spontaneous Hall effect. Furthermore, this study highlights a combined neutron-optical approach to identify complex spin textures.

Landau-Lifschitz-Gilbert equation↗
DOE OSTI2020

The fermionic universal one-loop effective action

Recent development of path integral matching techniques based on the covariant derivative expansion has made manifest a universal structure of one-loop effective Lagrangians. The universal terms can be computed once and for all to serve as a reference for one-loop matching calculations and to ease their automation. Here we present the fermionic universal one-loop effective action (UOLEA), resulting from integrating out heavy fermions (Dirac or Majorana) with scalar, pseudo-scalar, vector and axial-vector couplings. We also clarify the relation of the new terms computed here to terms previously computed in the literature and those that remain to complete the UOLEA. Our results can be readily used to efficiently obtain analytical expressions for effective operators arising from heavy fermion loops.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Freeze-in dark matter from secret neutrino interactions

We investigate a simplified freeze-in dark-matter model in which the dark matter only interacts with the standard-model neutrinos via a light scalar. The extremely small coupling for the freeze-in mechanism is naturally realized in several neutrino-portal scenarios with the secret neutrino interactions. We study possible evolution history of the hidden sector: the dark sector would undergo pure freeze-in production if the interactions between the dark-sector particles are negligible, while thermal equilibrium within the dark sector could occur if the reannihilation of the dark matter and the scalar mediator is rapid enough. We investigate the relic abundance in the freeze-in and dark freeze-out regimes, calculate evolution of the dark temperature, and study its phenomenological aspects on BBN and CMB constraints, the indirect-detection signature, as well as the potential to solve the small scale structure problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Freeze-in from preheating

We consider the production of dark matter during the process of reheating after inflation. The relic density of dark matter from freeze-in depends on both the energy density and energy distribution of the inflaton scattering or decay products composing the radiation bath. Here, we compare the perturbative and non-perturbative calculations of the energy density in radiation. We also consider the (likely) possibility that the final state scalar products are unstable. Assuming either thermal or non-thermal energy distribution functions, we compare the resulting relic density based on these different approaches. We show that the present-day cold dark matter density can be obtained through freeze-in from preheating for a large range of dark matter masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Mass radius and D-term of atomic nuclei in relativistic mean field theory

Based on relativistic mean field theory for atomic nuclei, we compute the mass radius and other radii associated with the energy momentum tensor for dozens of spin-0 nuclei across the nuclear chart. We also compute the D-term of these nuclei, the forward limit of the gravitational form factor 𝐷⁡(𝑡=0)=𝐷. The dependence on the neutron number 𝑁 is systematically studied for calcium (Ca), nickel (Ni), zirconium (Zr), tin (Sn), and lead (Pb) isotopes. Remarkably, |𝐷| does not monotonically increase with 𝑁. Instead, it exhibits local maxima and minima when 𝑁 equals a magic number and even a submagic number. This results in characteristic kinks in the mass, scalar, tensor, and shear radii of these isotopes. Our work for the first time elucidates the strong sensitivity of the various mechanical properties of nuclei to the nuclear shell structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Proposal for broad-range directional detection of light dark matter in cryogenic ice

We propose hexagonal ice (H 2 ⁡O) as a new target for light dark matter (DM) direct detection. Ice, a polar material, is suitable for single phonon detection through DM scattering for which we consider light dark photon and light scalar mediator models. We report a rate sensitivity down to a DM mass of ~keV, constituting a broader mass range than other promising candidates. We find better sensitivity for near-term experimental thresholds from the presence of high-frequency phonons. These advantages, and ice’s availability, make it highly promising for single-phonon detection.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Sneutrino tribrid inflation, metastable cosmic strings and gravitational waves

Here, we present a successful realization of sneutrino tribrid inflation model based on a gauged U(1)_B-L extension of Minimal Supersymmetric Standard Model (MSSM). A single interaction term involving the B-L Higgs field and the right-handed neutrinos serves multiple purposes. These include the generation of heavy Majorana masses for the right-handed neutrinos to provide an explanation for the tiny neutrino masses via the seesaw mechanism, a realistic scenario for reheating and non-thermal leptogenesis with a reheat temperature as low as 10 6 GeV, and a successful realization of inflation with right-handed sneutrino as the inflaton. The matter parity which helps avoid rapid proton decay survives as a Z 2 subgroup of a U(1) R-symmetry. Depending on the choice of model parameters yields the following predicted range of the tensor to scalar ratio, 3 x 10 -11 ≲ r≲ 7x 10 -4 (6 x 10 -7 ≲ r ≲ 0.01), and the running of the scalar spectral index, -0.00022 ≲ dn_s/dln k ≲ -0.0026 (-0.00014 ≲ dn_s/dln k ≲ 0.005), along with the B-L breaking scale, 3 x 10 14 ≲ M/ GeV≲ 5 x 10 15 (6 x 10 15 ≲ M/ GeV≲ 2 x 10 16 ), calculated at the central value of the scalar spectral index, n_s =0.966, reported by Planck 2018. The possibility of realizing metastable cosmic strings in a grand unified theory setup is briefly discussed. The metastable cosmic string network admits string tension values in the range 10 -8 ≲ Gμ s ≲ 10 -6 , and predicts a stochastic gravitational wave background lying within the 2-σ bounds of the recent NANOGrav 12.5-yr data.

supersymmetry and cosmology↗