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At least 289 records · Page 16
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DOE OSTI2026

Information-theoretic astrophysical uncertainties in the effective theory of dark matter direct detection

The impact of astrophysical uncertainties in direct detection searches can vary significantly across particle dark matter models and detector targets, due to the different velocity and momentum dependencies of the scattering cross section. We address these uncertainties for all operators of the nonrelativistic effective field theory of dark-matter/nucleon interactions, making use of the Kullback-Leibler (KL) information divergence to measure the deviation of the true dark matter velocity distribution from the Maxwell-Boltzmann form. This approach quantifies how astrophysical uncertainties affect each operator in the effective theory, without assuming any specific functional form for the velocity distribution. While for some operators the uncertainties are smaller than 1 order of magnitude for entropically motivated deviations from the Maxwell-Boltzmann form, for other operators, these uncertainties can be as large as three orders of magnitude near threshold. Furthermore, we identify the dependence of the scattering rate for various operators of the effective theory with different velocity-weighted moments of the velocity distribution, functionally analogous to the mean, variance, or skewness. This provides new analytic insight into which features of the velocity distribution are most relevant to detect a given particle dark matter model. Our technique is general and could be applied to a broader class of physics problems where a physical observable depends on the statistical moments of an uncertain theoretical distribution.

Herrera, Gonzalo [MIT, MKI; Harvard U.; Virginia T↗
DOE OSTI2025

Measurement of 𝑊⁢𝑊⁢𝑍 and 𝑍⁢𝐻 Production Cross Sections at $\sqrt{𝑠}$ = 13 and 13.6 TeV

A measurement is presented of the cross section in proton-proton collisions for the production of two 𝑊 bosons and one 𝑍 boson. It is based on data recorded by the CMS experiment at the CERN LHC at center-of-mass energies $\sqrt{𝑠}$ = 13 and 13.6 TeV, corresponding to an integrated luminosity of 200 fb −1 . Events with four charged leptons (electrons or muons) in the final state are selected. Both nonresonant 𝑊⁢𝑊⁢𝑍 production and 𝑍⁢𝐻 production, with the Higgs boson decaying into two 𝑊 bosons, are reported. For the first time, the two processes are measured separately in a simultaneous fit. Combining the two modes, signal strengths relative to the standard model (SM) predictions of 0.75$^{+0.34}_{−0.29}$ and 1.74$^{+0.71}_{−0.60}$ are measured for $\sqrt{𝑠}$ = 13 and 13.6 TeV, respectively. The observed (expected) significance for the triboson signal is 3.8 (2.5) standard deviations for $\sqrt{𝑠}$ = 13.6 TeV, thus providing the first evidence for triboson production at this center-of-mass energy. Combining the two modes and the two center-of-mass energies, the inclusive signal strength relative to the SM prediction is measured to be 1.03$^{+0.31}_{−0.28}$, with an observed (expected) significance of 4.5 (5.0) standard deviations.

Gauge bosons↗
DOE OSTI2025

Precision Measurement of Net-Proton-Number Fluctuations in Au + Au Collisions at RHIC

We report precision measurements on cumulants (𝐶 𝑛 ) and factorial cumulants (𝜅 𝑛 ) of (net) proton number distributions up to fourth order in Au + Au collisions over center-of-mass energies $\sqrt{s_{NN}}$ = 7.7–27 GeV from phase II of the Beam Energy Scan program at RHIC. (Anti)protons are selected at midrapidity (|𝑦| < 0.5) within a transverse momentum range of 0.4 < 𝑝 𝑇 < 2.0 GeV/𝑐. Relative to various noncritical-point model calculations and peripheral collision 70%–80% data, the net proton 𝐶 4 /𝐶 2 measurement in 0%–5% collisions shows a minimum around 19.6 GeV for significance of deviation at ∼2–5⁢𝜎. A minimum in 𝐶 4 /𝐶 2 with respect to a noncritical baseline is expected to be a characteristic feature of the signature associated with a critical point in the QCD phase diagram. In addition, deviations from noncritical baselines around the same collision energy region are also seen in proton factorial cumulant ratios, especially in 𝜅 2 /𝜅 1 and 𝜅 3 /𝜅 1 . As a result, dynamical model calculations including a critical point are called for in order to understand these precision measurements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Evidence of Z Z γ Production and Observation of 4 ℓ γ in Proton-Proton Collisions at s = 13 TeV

Evidence of the production of two Z bosons and a photon in proton-proton collisions is reported for the first time in CMS. The analysis uses data collected by the CMS experiment between 2016 and 2018 at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 138 fb - 1 . Evidence for the process p p → Z Z γ → 4 ℓ γ ( ℓ = e , μ ), with an observed (expected) significance of 3.7 (3.1) standard deviations in a fiducial region defined by p T γ > 20 GeV , | η γ | < 2.4 , Δ R ( ℓ , γ ) > 0.5 , m Z between 60 and 120 GeV, and the invariant mass of either of the two Z bosons combined with the photon ( m Z γ ) larger than 100 GeV, is reported. The measured (predicted) fiducial cross section is 60 - 22 + 27 ab ( 47.56 ± 0.04 ab ). Additionally, the inclusive production of p p → 4 ℓ γ is studied by removing the m Z γ requirement to include final state radiation where one Z boson decays to 2 ℓ γ , yielding an observed (expected) significance of 5.0 (4.2) standard deviations and a measured (predicted) fiducial cross section of 156 - 35 + 39 ab ( 99.97 ± 0.09 ab ).

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2025

Unconventional Fractional Phases in Multiband Vortexable Systems

We study topological flat bands with distinct features that deviate from conventional Landau level behavior. We show that even in the ideal quantum geometry limit, moiré flat band systems can exhibit physical phenomena fundamentally different from Landau levels without lattices. In particular, we find new fractional quantum Hall states emerging from multiband vortexable systems, where multiple exactly flat bands appear at the Fermi energy. While the set of bands as a whole exhibits ideal quantum geometry, individual bands separately lose vortexability, and thus making them very different from a stack of Landau levels. At certain filling fractions, we find fractional states whose Hall conductivity deviates from the filling factor. Through careful numerical and analytical studies, we rule out all known mechanisms—such as fractional quantum Hall crystals or separate filling of trivial and topological bands—as possible explanations. Leveraging the exact solvability of vortexable systems, we use analytic Bloch wave functions to uncover the origin of these new fractional states, which arises from the commensurability between the moiré unit cell and the magnetic unit cell of an emergent effective magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

High-isospin multiplets in 𝐴=15 and 16 nuclei

Isospin quartets (T=3/2) and quintets (T=2) have been investigated for A=15 and A=16 nuclei, respectively. Data from an invariant-mass experiment, with a 17 Ne beam, were reanalyzed and the T=3/2 and T=2 states in 15 O and 16 F, associated with p+ 14 N and 2p+ 14 N exit channels respectively, were found. In some cases, γ-ray gating was used to tag on events that decay to the excited 0 + , T=1 state in 14 N rather than the ground state. With the new states, the lowest-energy 1/2 + and 5/2 + quartets for A=15 and the 0 + and 2 + quintets for A=16 are completed. In addition, members of these multiplets in 15 F and 16 Ne decaying to the p+ 14 O and 2p+ 14 O channels are reevaluated by gating on events where the 14 O fragment recoils perpendicular to beam axis in the parent reference frame. Such transverse-decay events have the best invariant-mass resolution. No evidence for deviations from a quadratic dependence of the mass on the isospin projection was found for the A=15 quartets. However for the A=16 0 + and 2 + quintets, evidence for deviations were found.

Coulomb energies↗
DOE OSTI2023

Emergent quantum mechanics at the boundary of a local classical lattice model

We formulate a model in which quantum mechanics emerges from classical mechanics. Given a local Hamiltonian H acting on n qubits, we define a local classical model with an additional spatial dimension whose boundary dynamics is approximately—but to arbitrary precision—described by Schrödinger's equation and H. The bulk consists of a lattice of classical bits that propagate towards the boundary through a circuit of stochastic matrices. The bits reaching the boundary are governed by a probability distribution whose deviation from the uniform distribution can be interpreted as the quantum-mechanical wave function. Bell nonlocality is achieved because information can move through the bulk much faster than the boundary speed of light. Finally, we analytically estimate how much the model deviates from quantum mechanics, and we validate these estimates using computer simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Polymorphous nature of cubic halide perovskites

Many common crystal structures can be described by a single (or very few) repeated structural motif (“monomorphous structures”) such as octahedron in cubic halide perovskites. Interestingly, recent accumulated evidence suggests that electronic structure calculations based on such macroscopically averaged monomorphous cubic ($\textit{Pm} – 3m$) halide perovskites obtained from x-ray diffraction, show intriguing deviations from experiment. These include systematically too small band gaps, dielectric constants dominated by the electronic, negative mixing enthalpy of alloys, and significant deviations from the measured pair distribution function. We show here that a minimization of the systems $\textit{T}$ = 0 internal energy via density functional theory reveals a distribution of different low-symmetry local motifs, including tilting, rotations, and B-atom displacements (“polymorphous networks”). This is found only if one allows for larger-than-minimal cell size that does not geometrically exclude low symmetry motifs. As the (super) cell size increases, the energy is lowered relative to the monomorphous cell, and stabilizes after ~32 formula units (≥160 atoms) are included. Being a result of nonthermal energy minimization in the internal energy without entropy, this correlated set of displacements must represent the intrinsic geometry preferred by the underlying chemical bonding (lone pair bonding), and as such has a different origin than the normal, dynamic thermal disorder modeled by molecular dynamics. Indeed, the polymorphous network, not the monomorphous ansatz, is the kernel structure from which high temperature thermal agitation develops. The emerging physical picture is that the polymorphous network has an average structure with high symmetry, yet the local structural motifs have low symmetries. In this work we find that, compared with monomorphous counterparts, the polymorphous networks have significantly lower predicted total energies, larger band gaps, and ionic dominated dielectric constants, and agree much more closely with the observed pair distribution functions. An analogous polymorphous situation is found in the paraelectric phase of a few cubic oxide perovskites where local polarization takes the role of local displacements in halide perovskites, and in the paramagnetic phases of a few 3 d oxides where the local spin configuration takes that role.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Topologically derived dislocation theory for twist and stretch moiré superlattices in bilayer graphene

In this work, we develop a continuum dislocation description of twist and stretch moiré superlattices in two-dimensional material bilayers. The continuum formulation is based on the topological constraints introduced by the periodic dislocation network associated with the moiré structure. The approach is based on solving analytically for the structural distortion and displacement fields that satisfy the topological constraints and that minimize the total energy. The total energy is described by both the strain energy of each individual distorted layer and a Peierls-Nabarro-like interfacial contribution arising from stacking disregistry. The dislocation core emerges naturally within the formalism as a result of the competition between the two contributions. The approach presented here captures the structure and energetics of twist and stretch moiré superlattices of dislocations with arbitrary direction and character, without assuming an analytical solution a priori and while accounting naturally for dislocation-dislocation image interactions. In comparisons to atomistic simulations using classical potentials, the maximum structure deviation is 6%, while the maximum line energy deviation is 0.019 eV/Å. Several applications of our model are shown, including predicting the variation of structure with twist angle and describing dislocation line tension and junction energies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions

Understanding heat transfer in the earth mantle region is of great scientific interest but highly challenging due to dissimilar conditions from our daily lives. Thermal conductivity of highly pressured and thermally activated materials can be completely different from that at ambient condition. In this study we calculate the equation of state and thermal conductivity of cubic crystalline MgO, a major component of the mantle, in such an environment. It is shown that the material properties are not accurately captured unless rigorous treatment of anharmonicity of phonon vibrational motion is explicitly applied. To predict renormalized phonon dispersion relations, interatomic force constants of high-order expansion are required, especially at elevated temperature. The anharmonicity plays an increasingly substantial role for regulating volume expansion as temperature rises, because the Gibbs free energy of MgO considerably deviates from what was predicted by the quasiharmonic approximation. We find that the lattice thermal conductivity of MgO and the heat transfer of the earth's mantle are reliably estimated only when both the temperature-dependent renormalization of phonon frequencies and four-phonon scattering effects are taken into consideration. We map the characteristics at Geotherm into contour diagrams in which equilibrium volumes and the thermal conductivities are described as functions of temperature and pressure. Furthermore, the thermal conductivity values of MgO in this study are smaller than those in previous theoretical studies due to the additional incorporation of four-phonon scatterings in the calculations. Specifically, deviation between the values in previous studies and in this study becomes larger as thermodynamic variables reach those near the core-mantle boundary. For instance, thermal conductivities of 52.15 and 23.67 Wm -1 K -1 are estimated at ambient and extreme conditions (T = 4000K and P = 135 GPa), respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic anisotropy and spin dynamics in the kagome magnet Fe 4 Si 2 Sn 7 O 16 : NMR and magnetic susceptibility study on oriented powder

Fe 4 Si 2 Sn 7 O 16 hosts an undistorted kagome lattice of Fe 2+ (3d 6 , S = 2) ions. We present results of bulk magnetization and Sn nuclear magnetic resonance (NMR) measurements on an oriented Fe 4 Si 2 Sn 7 O 16 powder sample oriented in geometries parallel (∥) and perpendicular (⊥) to the external applied magnetic field used for orienting the powder (Bori). The bulk susceptibility χ shows a broad peak at T N ~ 3 K associated with antiferromagnetic ordering. NMR spectra indicate the presence of planar anisotropy in the kagome planes. From an analysis of the static NMR shift (K) and dynamic spin-lattice relaxation rate (1/T 1 ) we conclude the presence of dominant magnetic fluctuations in the kagome planes. For the ∥ orientation, K scales linearly with the bulk susceptibility for temperatures down to ~ 4 K, while in the ⊥ orientation K starts to deviate strongly below T ~ 30 K. We associate this deviation with the onset of spin-tilting towards the kagome planes. These correlations are also reflected in the 1/T 1 data for the ∥ orientation, which starts to decrease below T ~ 30 K. Here, in this correlated regime, T N < T < ~ 30 K, we discuss the formation of positive chiral spin correlations in the kagome planes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Importance of dynamic lattice effects for crystal field excitations in the quantum spin ice candidate Pr 2 Zr 2 O 7

We explore dynamic interactions between the crystal lattice and magnetic degrees of freedom in a frustrated magnetic system using the example of a pyrochlore quantum spin-ice candidate Pr 2 Zr 2 O 7 . Using Raman scattering spectroscopy we demonstrate that crystal electric field excitations of Pr3+, which define the magnetic properties of Pr 2 Zr 2 O 7 , cannot be understood within a model of a static lattice. We identify vibronic interactions with a phonon which lead to a splitting of a doublet crystal field excitation at around 55 meV. We also observe an unconventional behavior of a splitting of the non-Kramers ground state doublet of Pr 3+ , revealed by observing excitations to the first excited singlet state $E$$^{0}_{g}$ → A 1 g at around 10 meV. The splitting has a strong temperature dependence, where the doublet structure is most prominent between 50 and 100 K, and the weight of one of the components strongly decreases on cooling contrary to simple thermal population tendency. Furthermore, we suggest a static or dynamic deviation of Pr 3+ from the position in the ideal crystal structure can be the origin of the effect, with the deviation strongly decreasing at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electric fields and substrates dramatically accelerate spin relaxation in graphene

Electrons in graphene are theoretically expected to retain spin states much longer than most materials, making graphene a promising platform for spintronics and quantum information technologies. Here, in this work, we use first-principles density-matrix (FPDM) dynamics simulations to show that interaction with electric fields and substrates strongly enhances spin relaxation through scattering with phonons. Consequently, the relaxation time at room temperature reduces from microseconds in free-standing graphene to nanoseconds in graphene on the hexagonal boron nitride (hBN) substrate, which is the order of magnitude typically measured in experiments. Further, inversion symmetry breaking by hBN introduces a stronger asymmetry in electron and hole spin lifetimes than predicted by the conventional D'yakonov-Perel' (DP) model for spin relaxation. Deviations from the conventional DP model are stronger for in-plane spin relaxation, resulting in out-of-plane to in-plane lifetime ratios much greater than 1/2 with a maximum close to the Dirac point. These FPDM results, independent of symmetry-specific assumptions or material-dependent parameters, also validate recent modifications of the DP model to explain such deviations. Overall, our results indicate that spin-phonon relaxation in the presence of substrates may be more important in graphene than typically assumed, requiring consideration for graphene-based spin technologies at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Assessing the accuracy of compound formation energies with quantum Monte Carlo

Accurately predicting the formation energy of a compound, which describes its thermodynamic stability, is a key challenge in materials physics. Here, we employ a many-body quantum Monte Carlo (QMC) with single-reference trial functions to compute the formation energy of two electronically disparate compounds, the intermetallic VPt2 and the semiconductor CuI, for which standard density functional theory (DFT) predictions using both the Perdew-Burke-Ernzerhof (PBE) and the strongly constrained and appropriately normed (SCAN) density functional approximations deviate markedly from available experimental values. For VPt2, we find an agreement between QMC, SCAN, and PBE0 estimates, which therefore remain in disagreement with the much less exothermic experimental value. For CuI, the QMC result agrees with neither SCAN nor PBE pointing towards DFT exchange-correlation biases, likely related to the localized Cu 3d electrons. Compared to the behavior of some density functional approximations within DFT, spin-averaged QMC exhibits a smaller but still appreciable deviation when compared to experiment. The QMC result is slightly improved by incorporating spin-orbit corrections for CuI and solid I 2 , so that experiment and theory are brought into imperfect but reasonable agreement within about 120 meV/atom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Anomalous superconducting diode effect in a polar superconductor

A superconductor with broken time-reversal and inversion symmetry may exhibit nonreciprocal charge transport, including a nonreciprocal critical current, also known as superconducting diode effect. Here, we report an intrinsic superconducting diode effect in a polar strontium titanate film. Differential resistance measurements reveal a superconducting state whose depairing current is polarity dependent. There is, however, no measurable deviation from Ohmic behavior, implying that this state does not arise from a bulk magnetochiral anisotropy. In the entire measurement range, the only deviation from linearity in the differential resistance is on the edge of the superconducting transition at high magnetic fields, likely due to the motion of flux vortices. Furthermore, the magnitude of the effect is preserved even when the in-plane magnetic field is oriented parallel to the current, indicating that this effect truly does not originate from a bulk magnetochiral anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Accurate equation of state of H 2 – He binary mixtures up to 5.4 GPa

Brillouin scattering spectroscopy has been used to obtain an accurate (<1%) ρ-P equation of state (EOS) of 1:1 and 9:1 H 2 -He molar mixtures from 0.5 to 5.4 GPa at 296 K. Our calculated equations of state indicate close agreement with the experimental data right to the freezing pressure of hydrogen at 5.4 GPa. The measured velocities agree on average, within 0.5%, of an ideal mixing model. The ρ-P EOSs presented have a standard deviation of under 0.3% from the measured densities and under 1% deviation from ideal mixing. Furthermore, a detailed discussion of the accuracy, precision, and sources of error in the measurement and analyses of our equations of state is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Photo response of 164 Dy

Background: Little data is available for the pygmy dipole resonance (PDR) in axially deformed nuclei. Photon-scattering experiments are complicated by high level densities in the PDR region and the small energy difference of transitions to the ground state and to excited states. Purpose: In this work, we report on an experimental study of the low-energy dipole strength distribution of the well-deformed nucleus 164 Dy between 4.0–7.7 MeV. Methods: The low-lying photoresponse of 164 Dy has been investigated using the method of nuclear resonance fluorescence using a quasimonochromatic linearly polarized $\textit{γ}$-ray beam in the energy range of 4.0–7.7 MeV in steps of 0.2 MeV. Results: For excitation energies between 4 MeV and 5 MeV, sufficiently low level densities allow for the identification of individual states, including level energies, reduced transition widths and branching ratios. Energy-averaged mean decay branching ratios, mean population ratios and partial absorption cross sections were determined above 5 MeV up to the neutron-separation threshold at 7.7 MeV. A Lorentzian-shaped enhancement of the partial photo absorption cross section followed by decays back to the ground-state band is found at 6.10(5) MeV with a width of 0.77(23) MeV. A comparison with results from complementary measurements is performed using the framework of the statistical model. Conclusions: The experimental results for the mean population ratios deviate systematically from the statistical model simulation by 30(6)%. However, they are in agreement within one standard deviation of the simulation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Examination of the universal behavior of the η-to-π 0 ratio in heavy-ion collisions

We demonstrate that the pT dependence of the η/π 0 ratio at midrapidity is universal within a few percent for high-energy p+p, p+A, and d+A collisions, over a broad range of collision energies. The η/π 0 ratio increases with p T up to 4 to 5 GeV/c where it saturates at a nearly constant value of 0.487±0.024. Above p T =5 GeV/c, the same constant value is also observed in A+A collisions independent of collision system, energy, and centrality. At lower p T , where accurate η/π 0 data are absent for A+A collisions, we estimate possible deviations from the universal behavior, which could arise due to the rapid radial hydrodynamic expansion of the A+A collision system. For A+A collisions at the BNL Relativistic Heavy Ion Collider we find that possible deviations are limited to the p T range from 0.4 to 3 GeV/c and remain less than 20% for the most central collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗