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At least 1,711 records · Page 95
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DOE OSTI2025

Bridging Experiment and Theory to Reveal Compounds in K–Zn(Cd)–Bi Systems

This study investigates the facile hydride synthesis method guided by theoretical predictions to explore the K–T–Bi (T = Zn, Cd) phase spaces. Using an adaptive genetic algorithm (AGA) and density functional theory (DFT), candidate compositions are identified for experimental validation via a facile hydrides route, permitting experimental screening of K–Zn–Bi and “empty” K–Cd–Bi systems. The previously reported KZnBi and KZn 2 Bi 2 are synthesized alongside newly discovered KCdBi and KCd 2 Bi 2 . While the AGA and DFT predict the stability of these compounds, structural predictions align with the experiment only for KZnBi and KZn 2 Bi 2 . Single-crystal X-ray structure refinements confirm that KZnBi and KZn 2 Bi 2 adopt the hexagonal ZrBeSi- and tetragonal ThCr 2 Si 2 -structure types, respectively. KCdBi has tetragonal PbClF-structure type and KCd 2 Bi 2 belongs to the ThCr 2 Si 2 -structure type. A trend based on the ratio of the metal ionic radii allows to rationalize variation in the structure types within the ATBi family (A = Li–Cs), correctly identifying KCdBi as isostructural to NaZnBi. Thermal stability studied by high-temperature powder X-ray diffraction reveals that Zn-containing compounds melt at higher temperatures (821 K for KZn 2 Bi 2 ) than Cd-containing KCd 2 Bi 2 (635 K). This study highlights the efficacy of combining rapid synthesis techniques with predictive modeling, though structural predictions show some limitations in accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Full mass dependence in Higgs boson production in association with jets at the LHC and FCC

The first computation of Higgs production in association with three jets at NLO in QCD has recently been performed using the effective theory, where the top quark is treated as an infinitely heavy particle and integrated out. This approach is restricted to the regions in phase space where the typical scales are not larger than the top quark mass. Here we investigate this statement at a quantitative level by calculating the leading-order contributions to the production of a Standard Model Higgs boson in association with up to three jets taking full top-quark and bottom-quark mass dependence into account. We find that the transverse momentum of the hardest particle or jet plays a key role in the breakdown of the effective theory predictions, and that discrepancies can easily reach an order of magnitude for transverse momenta of about 1 TeV. The impact of bottom-quark loops is found to be visible in the small transverse momentum region, leading to corrections of up to 5 percent. Lastly, we further study the impact of mass corrections when VBF selection cuts are applied and when the center-of-mass energy is increased to 100 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Measurement of the ZZ production cross section in proton-proton collisions at $ \sqrt{s}=8 $ TeV using the ZZ → ℓ – ℓ + ℓ'ℓ' + and $ZZ\to {\ell}^{-}{\ell}^{+}\nu \overline{\nu} $ decay channels with the ATLAS detector

A measurement of the ZZ production cross section in the ℓ – ℓ + ℓ' – ℓ' + and ℓ – ℓ + νν¯channels (ℓ = e, μ) in proton-proton collisions at √s = 8TeV at the Large Hadron Collider at CERN, using data corresponding to an integrated luminosity of 20.3 fb –1 collected by the ATLAS experiment in 2012 is presented. The fiducial cross sections for ZZ → ℓ – ℓ + ℓ' – ℓ' + and ZZ → ℓ – ℓ + νν¯ are measured in selected phase-space regions. The total cross section for ZZ events produced with both Z bosons in the mass range 66 to 116 GeV is measured from the combination of the two channels to be 7.3±0.4(stat)±0.3(syst) –0.1 –0.2 (lumi)pb, which is consistent with the Standard Model prediction of 6.6 –0.6 +0.7 pb. The differential cross sections in bins of various kinematic variables are presented. The differential event yield as a function of the transverse momentum of the leading Z boson is used to set limits on anomalous neutral triple gauge boson couplings in ZZ production.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Consistent searches for SMEFT effects in non-resonant dijet events

Here, we investigate the bounds which can be placed on generic new-physics contributions to dijet production at the LHC using the framework of the Standard Model Effective Field Theory, deriving the first consistently-treated EFT bounds from non-resonant high-energy data. We recast an analysis searching for quark compositeness, equivalent to treating the SM with one higher-dimensional operator as a complete UV model. In order to reach consistent, model-independent EFT conclusions, it is necessary to truncate the EFT effects consistently at order $1/\Lambda^2$ and to include the possibility of multiple operators simultaneously contributing to the observables, neither of which has been done in previous searches of this nature. Furthermore, it is important to give consistent error estimates for the theoretical predictions of the signal model, particularly in the region of phase space where the probed energy is approaching the cutoff scale of the EFT. There are two linear combinations of operators which contribute to dijet production in the SMEFT with distinct angular behavior; we identify those linear combinations and determine the ability of LHC searches to constrain them simultaneously. Consistently treating the EFT generically leads to weakened bounds on new-physics parameters. These constraints will be a useful input to future global analyses in the SMEFT framework, and the techniques used here to consistently search for EFT effects are directly applicable to other off-resonance signals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Differential equations from unitarity cuts: nonplanar hexa-box integrals

We compute ϵ-factorized differential equations for all dimensionally-regularized integrals of the nonplanar hexa-box topology, which contribute for instance to 2-loop 5-point QCD amplitudes. A full set of pure integrals is presented. For 5-point planar topologies, Gram determinants which vanish in 4 dimensions are used to build compact expressions for pure integrals. Using unitarity cuts and computational algebraic geometry, we obtain a compact IBP system which can be solved in 8 hours on a single CPU core, overcoming a major bottleneck for deriving the differential equations. Alternatively, assuming prior knowledge of the alphabet of the nonplanar hexa-box, we reconstruct analytic differential equations from 30 numerical phase-space points, making the computation almost trivial with current techniques. We solve the differential equations to obtain the values of the master integrals at the symbol level. Full results for the differential equations and solutions are included as supplementary material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Search for production of Higgs boson pairs in the four b quark final state using large-area jets in proton-proton collisions at $ \sqrt{s}=13 $ TeV

Here, a search is presented for pair production of the standard model Higgs boson using data from proton-proton collisions at a centre-of-mass energy of 13 TeV, collected by the CMS experiment at the CERN LHC in 2016, and corresponding to an integrated luminosity of 35.9 fb$^{-1}$. The final state consists of two b quark-antiquark pairs. The search is conducted in the region of phase space where one pair is highly Lorentz-boosted and is reconstructed as a single large-area jet, and the other pair is resolved and is reconstructed using two b-tagged jets. The results are obtained by combining this analysis with another from CMS looking for events with two large jets. Limits are set on the product of the cross sections and branching fractions for narrow bulk gravitons and radions in warped extra-dimensional models having a mass in the range 750-3000 GeV. The resulting observed and expected upper limits on the non-resonant Higgs boson pair production cross section correspond to 179 and 114 times the standard model value, respectively, at 95% confidence level. The existence of anomalous Higgs boson couplings is also investigated and limits are set on the non-resonant Higgs boson pair production cross sections for representative coupling values.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Sequential discontinuities of Feynman integrals and the monodromy group

We generalize the relation between discontinuities of scattering amplitudes and cut diagrams to cover sequential discontinuities (discontinuities of discontinuities) in arbitrary momentum channels. The new relations are derived using time-ordered perturbation theory, and hold at phase-space points where all cut momentum channels are simultaneously accessible. As part of this analysis, we explain how to compute sequential discontinuities as monodromies and explore the use of the monodromy group in characterizing the analytic properties of Feynman integrals. We carry out a number of cross-checks of our new formulas in polylogarithmic examples, in some cases to all loop orders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Real corrections to Higgs boson pair production at NNLO in the large top quark mass limit

In this paper we consider the next-to-next-to-leading order total cross section of Higgs boson pair production in the large top quark mass limit and compute four expansion terms in 1 $ {m}_t^2 $ . To this end, we analytically compute the real-virtual and double-real contributions to the total cross section and combine them with the existing virtual contribution. Good convergence is observed below the top quark threshold, which makes our results a valuable input for approximation methods which aim for next-to-next-to-leading order corrections over the whole kinematic range. We present details on various steps of our calculation; in particular, we provide results for three- and four-particle phase-space master integrals and describe in detail the evaluation of the collinear counterterms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Holographic Kolmogorov-Sinai entropy and the quantum Lyapunov spectrum

In classical chaotic systems the entropy, averaged over initial phase space distributions, follows a universal behavior. While approaching thermal equilibrium it passes through a stage where it grows linearly, while the growth rate, the Kolmogorov-Sinai entropy (rate), is given by the sum over all positive Lyapunov exponents. A natural question is whether a similar relation is valid for quantum systems. We argue that the Maldacena-Shenker-Stanford bound on quantum Lyapunov exponents implies that the upper bound on the growth rate of the entropy, averaged over states in Hilbert space that evolve towards a thermal state with temperature T, should be given by πT times the thermal state’s von Neumann entropy. Strongly coupled, large N theories with black hole duals should saturate the bound. To test this we study a large number of isotropization processes of random, spatially homogeneous, far from equilibrium initial states in large N, $\mathcal{N}$ = 4 Super Yang Mills theory at strong coupling and compute the ensemble averaged growth rate of the dual black hole’s apparent horizon area. We find both an analogous behavior as in classical chaotic systems and numerical evidence that the conjectured bound on averaged entropy growth is saturated granted that the Lyapunov exponents are degenerate and given by λ i = ±2πT. This fits to the behavior of classical systems with plus/minus symmetric Lyapunov spectra, a symmetry which implies the validity of Liouville’s theorem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

From shockwaves to the gravitational memory effect

We study the relationship between shockwave geometries and the gravitational memory effect in four-dimensional asymptotically flat spacetime. In particular, we show the ’t Hooft commutation relations of shockwave operators are equivalent to the commutation relation between soft and Goldstone modes parametrizing a sector of the gravitational phase space. We demonstrate this equivalence via a diffeomorphism that takes a shockwave metric to a metric whose transverse traceless component is the gravitational memory. The shockwave momentum in ’t Hooft’s analysis is related to the soft graviton mode, which is responsible for the memory effect, while the shift in the shockwave position is related to the Goldstone mode. This equivalence opens new directions to utilize the gravitational memory effect to explore the observational implications of shockwave geometries in flat space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Flavor fragmentation function factorization

A definition of partonic jet flavor that is both theoretically well-defined and experimentally robust would have profound implications for measurements and predictions especially for heavy flavor applications. Recently, a definition of jet flavor was introduced as the net flavor flowing along the direction of the Winner-Take-All axis of a jet which is soft safe to all orders, but not collinear safe. Here, we exploit the lack of collinear safety and propose a factorization theorem of perturbative flavor fragmentation functions that resum collinear divergences and describe the evolution of flavor from the short distance of jet production to the long distance at which hadronization occurs. Collinear flavor evolution is governed by a small modification of the DGLAP equations. We present a detailed all-orders analysis and identify exact relations that must hold amongst the various anomalous dimensions by probability conservation and the existence of fixed points of the renormalization group flow. We explicitly validate the factorization theorem at one-loop order, and demonstrate its consistency at two loops in particular flavor channels. Starting at two-loops, constraints on phase space imposed by flavor measurements potentially allow for non-trivial soft contributions, but we demonstrate that they are scaleless and so explicitly vanish, ensuring that soft particles are summed inclusively and all divergences are exclusively collinear in nature. This factorization theorem opens the door to precision calculations with identified flavor in the infrared.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Null Raychaudhuri: canonical structure and the dressing time

Abstract We initiate a study of gravity focusing on generic null hypersurfaces, non-perturbatively in the Newton coupling. We present an off-shell account of the extended phase space of the theory, which includes the expected spin-2 data as well as spin-0, spin-1 and arbitrary matter degrees of freedom. We construct the charges and the corresponding kinematic Poisson brackets, employing a Beltrami parameterization of the spin-2 modes. We explicitly show that the constraint algebra closes, the details of which depend on the non-perturbative mixing between spin-0 and spin-2 modes. Finally we show that the spin zero sector encodes a notion of a clock, called dressing time, which is dynamical and conjugate to the constraint. It is well-known that the null Raychaudhuri equation describes how the geometric data of a null hypersurface evolve in null time in response to gravitational radiation and external matter. Our analysis leads to three complementary viewpoints on this equation. First, it can be understood as a Carrollian stress tensor conservation equation. Second, we construct spin-0, spin-2 and matter stress tensors that act as generators of null time reparametrizations for each sector. This leads to the perspective that the null Raychaudhuri equation can be understood as imposing that the sum of CFT-like stress tensors vanishes. Third, we solve the Raychaudhuri constraint non-perturbatively. The solution relates the dressing time to the spin-2 and matter boost charge operators. Finally we establish that the corner charge corresponding to the boost operator in the dressing time frame is monotonic. These results show that the notion of an observer can be thought of as emerging from the gravitational degrees of freedom themselves. We briefly mention that the construction offers new insights into focusing conjectures.

Physics↗
DOE OSTI2025

A two-loop four-point form factor at function level

Recently, the maximally-helicity-violating four-point form factor for the chiral stress-energy tensor in planar $\mathcal{N}$ = 4 super Yang-Mills was computed to three loops at the level of the symbol associated with multiple polylogarithms. It exhibits antipodal self-duality, or invariance under the combined action of a kinematic map and reversing the ordering of letters in the symbol. Here we lift the two-loop form factor from symbol level to function level. We provide an iterated representation of the function’s derivatives (coproducts). In order to do so, we find a three-parameter limit of the five-parameter phase space where the symbol’s letters are all rational. We also use function-level information about dihedral symmetries and the soft, collinear, and factorization limits, as well as limits governed by the form-factor operator product expansion (FFOPE). We provide plots of the remainder function on several kinematic slices, and show that the result is compatible with the FFOPE data. We further verify that antipodal self-duality is valid at two loops beyond the level of the symbol.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Measurements of the inclusive W and Z boson production cross sections and their ratios in proton-proton collisions at $\sqrt{s}=13.6$ TeV

Measurements are presented of the W and Z boson production cross sections in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Data collected in 2022 and corresponding to an integrated luminosity of 5.01 fb −1 with one or two identified muons in the final state are analyzed. The results for the products of total inclusive cross sections and branching fractions for muonic decays of W and Z bosons are 11.93 ± 0.08 (syst) ± 0.17 (lumi) $^{+0.07}_{−0.07}$ (acceptance) nb for W + boson production, 8.86 ± 0.06 (syst) ± 0.12 (lumi) $^{+0.05}_{−0.06}$ (acceptance) nb for W − boson production, and 2.021 ± 0.009 (syst) ± 0.028 (lumi) $^{+0.011}_{−0.013}$ (acceptance) nb for the Z boson production in the dimuon mass range of 60–120 GeV, all with negligible statistical uncertainties. Furthermore, the corresponding fiducial cross sections, as well as cross section ratios for both fiducial and total phase space, are provided. The ratios include charge-separated results for W boson production (W + and W − ) and the sum of the two contributions (W ± ), each relative to the measured Z boson production cross section. Additionally, the ratio of the measured cross sections for W + and W − boson production is reported. All measurements are in agreement with theoretical predictions, calculated at next-to-next-to-leading order accuracy in quantum chromodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Measurements of top-quark pair to Z-boson cross-section ratios at $ \sqrt{s}=13 $, 8, 7 TeV with the ATLAS detector

Ratios of top-quark pair to Z-boson cross sections measured from proton-proton collisions at the LHC centre-of-mass energies of √s = 13 TeV, 8 TeV, and 7 TeV are presented by the ATLAS Collaboration. Single ratios, at a given √s for the two processes and at different √s for each process, as well as double ratios of the two processes at different √s, are evaluated. The ratios are constructed using previously published ATLAS measurements of the tt¯ and Z-boson production cross sections, corrected to a common phase space where required, and a new analysis of Z → ℓ + ℓ – where ℓ = e, μ at √s = 13 TeV performed with data collected in 2015 with an integrated luminosity of 3.2 fb –1 . Correlations of systematic uncertainties are taken into account when evaluating the uncertainties in the ratios. The correlation model is also used to evaluate the combined cross section of the Z → e + e – and the Z → μ + μ – channels for each √s value. The results are compared to calculations performed at next-to-next-to-leading-order accuracy using recent sets of parton distribution functions. The data demonstrate significant power to constrain the gluon distribution function for the Bjorken-x values near 0.1 and the light-quark sea for x < 0.02.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Factorization and resummation for groomed multi-prong jet shapes

Observables which distinguish boosted topologies from QCD jets are playing an increasingly important role at the Large Hadron Collider (LHC). These observables are often used in conjunction with jet grooming algorithms, which reduce contamination from both theoretical and experimental sources. In this paper we derive factorization formulae for groomed multi-prong substructure observables, focusing in particular on the groomed D 2 observable, which is used to identify boosted hadronic decays of electroweak bosons at the LHC. Our factorization formulae allow systematically improvable calculations of the perturbative D 2 distribution and the resummation of logarithmically enhanced terms in all regions of phase space using renormalization group evolution. They include a novel factorization for the production of a soft subjet in the presence of a grooming algorithm, in which clustering effects enter directly into the hard matching. We use these factorization formulae to draw robust conclusions of experimental relevance regarding the universality of the D 2 distribution in both e+e- and pp collisions. In particular, we show that the only process dependence is carried by the relative quark vs. gluon jet fraction in the sample, no non-global logarithms from event-wide correlations are present in the distribution, hadronization corrections are controlled by the perturbative mass of the jet, and all global color correlations are completely removed by grooming, making groomed D 2 a theoretically clean QCD observable even in the LHC environment. Lastly, we compute all ingredients to one-loop accuracy, and present numerical results at next-to-leading logarithmic accuracy for e + e - collisions, comparing with parton shower Monte Carlo simulations. Results for pp collisions, as relevant for phenomenology at the LHC, are presented in a companion paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Parton shower and NLO-matching uncertainties in Higgs boson pair production

We perform a detailed study of NLO parton shower matching uncertainties in Higgs boson pair production through gluon fusion at the LHC based on a generic and process independent implementation of NLO subtraction and parton shower matching schemes for loop-induced processes in the Sherpa event generator. We take into account the full top-quark mass dependence in the two-loop virtual corrections and compare the results to an effective theory approximation. In the full calculation, our findings suggest large parton shower matching uncertainties that are absent in the effective theory approximation. Here, we observe large uncertainties even in regions of phase space where fixed-order calculations are theoretically well motivated and parton shower effects expected to be small. We compare our results to NLO matched parton shower simulations and analytic resummation results that are available in the literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Three-loop soft function for energetic electroweak boson production at hadron colliders

We calculate the three-loop soft function for the production of an electroweak boson (Higgs, γ , W ± , Z ) with large transverse momentum at a hadron collider. It is the first time a soft function for a three-parton process is computed at next-to-next-to-next-to-leading order (N 3 LO). As a technical novelty, we perform the calculation in terms of forward-scattering-type loop diagrams rather than evaluating phase space integrals. Our three-loop result contains color-tripole contributions and explicitly confirms predictions on the universal infrared structure of QCD scattering amplitudes with three massless parton legs. The soft function is a central ingredient in the factorized cross section for electroweak boson production near the kinematic endpoint (threshold), where the invariant mass of the recoiling hadronic radiation is small compared to its transverse momentum. Our result is required for predictions of the near-threshold cross sections at N 3 LO and for the resummation of threshold logarithms at primed next-to-next-to-next-to-leading logarithmic (N 3 LL') accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗