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At least 1,081 records · Page 60
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DOE OSTI2025

Measurement of C P asymmetries in Λ b 0 → p h − decays

A search for C P violation in Λ b 0 → p K − and Λ b 0 → p π − decays is presented using the full Run 1 and Run 2 data samples of p p collisions collected with the LHCb detector, corresponding to an integrated luminosity of 9 fb − 1 at center-of-mass energies of 7, 8, and 13 TeV. For the Run 2 data sample, the C P -violating asymmetries are measured to be A C P p K − = ( − 1.4 ± 0.7 ± 0.4 ) % and A C P p π − = ( 0.4 ± 0.9 ± 0.4 ) % , where the first uncertainty is statistical and the second is systematic. Following significant improvements in the evaluation of systematic uncertainties compared to the previous LHCb measurement, the Run 1 dataset is reanalyzed to update the corresponding results. When combining the Run 2 and updated Run 1 measurements, the final results are found to be A C P p K − = ( − 1.1 ± 0.7 ± 0.4 ) % and A C P p π − = ( 0.2 ± 0.8 ± 0.4 ) % , constituting the most precise measurements of these asymmetries to date. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R. (ORCID:0000000305331952)↗
DOE OSTI2025

Branching fraction measurement of the decay B + → ψ ( 2 S ) ϕ ( 1020 ) K +

The branching fraction of the decay B + → ψ ( 2 S ) ϕ ( 1020 ) K + , relative to the topologically similar decay B + → J / ψ ϕ ( 1020 ) K + , is measured using proton-proton collision data collected by the LHCb experiment at center-of-mass energies of 7, 8, and 13 TeV, corresponding to an integrated luminosity of 9 fb − 1 . The ratio is found to be 0.061 ± 0.004 ± 0.009 , where the first uncertainty is statistical and the second systematic. Using the world-average branching fraction for B + → J / ψ ϕ ( 1020 ) K + , the branching fraction for the decay B + → ψ ( 2 S ) ϕ ( 1020 ) K + is found to be ( 3.0 ± 0.2 ± 0.5 ± 0.2 ) × 10 − 6 , where the first uncertainty is statistical, the second systematic, and the third is due to the branching fraction of the normalization channel. © 2025 CERN, for the LHCb Collaboration 2025 CERN

Aaij, R. (ORCID:0000000305331952)↗
DOE OSTI2023

Spectral-partitioned Kohn-Sham density functional theory

Here we introduce a general, variational scheme for systematic approximation of a given Kohn-Sham free-energy functional by partitioning the density matrix into distinct spectral domains, each of which may be spanned by an independent diagonal representation without requirement of mutual orthogonality. It is shown that by generalizing the entropic contribution to the free energy to allow for independent representations in each spectral domain, the free energy becomes an upper bound to the exact (unpartitioned) Kohn-Sham free energy, attaining this limit as the representations approach Kohn-Sham eigenfunctions. A numerical procedure is devised for calculation of the generalized entropy associated with spectral partitioning of the density matrix. The result is a powerful framework for Kohn-Sham calculations of systems whose occupied subspaces span multiple energy regimes. As a case in point, we apply the proposed framework to warm- and hot-dense matter described by finite-temperature density functional theory, where at high energies the density matrix is represented by that of the free-electron gas, while at low energies it is variationally optimized. We derive expressions for the spectral-partitioned Kohn-Sham Hamiltonian, atomic forces, and macroscopic stresses within the projector-augmented wave (PAW) and the norm-conserving pseudopotential methods. It is demonstrated that at high temperatures, spectral partitioning facilitates accurate calculations at dramatically reduced computational cost. Moreover, as temperature is increased, fewer exact Kohn-Sham states are required for a given accuracy, leading to further reductions in computational cost. Finally, it is shown that standard multiprojector expansions of electronic orbitals within atomic spheres in the PAW method lack sufficient completeness at high temperatures. Spectral partitioning provides a systematic solution for this fundamental problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Azimuthal Drive Asymmetry in Inertial Confinement Fusion Implosions on the National Ignition Facility

Data from nuclear diagnostics present correlated signatures of azimuthal implosion asymmetry in recent indirect-drive inertial confinement fusion (ICF) implosion campaigns performed at the National Ignition Facility (NIF). The mean hot-spot velocity, inferred from the Doppler shift of 14 MeV neutrons produced by deuterium-tritium (DT) fusion, is systematically directed toward one azimuthal half of the NIF target chamber, centered on φ ≈ 7 0 ° . Areal density ( ρ R ) asymmetry of the converged DT fuel, inferred from nuclear activation diagnostics, presents a minimum ρ R in the same direction as the hot-spot velocity and with Δ ρ R amplitude correlated with velocity magnitude. These two correlated observations, which are seen in all recent campaigns with cryogenic layers of DT fuel, are an understood signature of asymmetry in the fuel convergence, implying a systematic azimuthal drive asymmetry across a wide range of shot and target configurations. The direction of the implied radiation asymmetry is observed to cluster toward the hohlraum diagnostic windows. Furthermore, this low-mode asymmetry degrades hot-spot conditions at peak convergence and limits implosion performance and yield

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Evidence of a New Excited Charmed Baryon Decaying to Σ c ( 2455 ) 0 , + + π ±

We present the study of $\overline{B}$ 0 →Σ c ⁢(2455) 0,++ ⁢π ± $\overline{p}$ decays based on 772×10 6 B$\overline{B}$ events collected with the Belle detector at the KEKB asymmetric-energy e + ⁢e - collider. The Σ c⁢ (2455) 0,++ candidates are reconstructed via their decay to Λ$^{+}_{c}$π ∓ and Λ$^{+}_{c}$ decays to pK ⁢- π + , pK$^{0}_{S}$, and Λ⁢π + final states. The corresponding branching fractions are measured to be $\mathscr{B}$⁡($\overline{B}$ 0 →Σ c ⁢(2455) 0⁢ π + $\overline{p}$)=(1.09±0.06±0.07)×10 -4 and $\mathscr{B}$⁡($\overline{B}$ 0 →Σ c ⁢(2455) ++ ⁢π - ⁢$\overline{p}$)=(1.84±0.11±0.12)×10 -4 , which are consistent with the world average values with improved precision. A new structure is found in the M Σ c (2455) 0,++⁢π± spectrum with a significance of 4.2⁢σ including systematic uncertainty. The structure is possibly an excited Λ$^{+}_{c}$ and is tentatively named Λ c ⁢(2910) + . Its mass and width are measured to be (2913.8±5.6±3.8) MeV/c 2 and (51.8±20.0±18.8) MeV, respectively. The products of branching fractions for the Λ c ⁢(2910) + are measured to be $\mathscr{B}$⁡($\overline{B}$ 0 →Λ c (2910) + $\overline{p}$) × $\mathscr{B}$⁡(Λ c ⁢(2910) + →Σ c ⁢(2455) 0 π + )=(9.5±3.6±1.6) x 10 -6 and $\mathscr{B}$($\overline{B}$ 0 →Λ c ⁢(2910) + ⁢ $\overline{p}$) × $\mathscr{B}$⁡(Λ c (2910) + →Σ c (2455 )++ π - )=(1.24±0.35±0.10)×10 -5 . Here, the first and second uncertainties are statistical and systematic, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of the Branching Fractions $\mathcal{B}(B^0 → p\bar{p}p\bar{p})$ and $\mathcal{B}(B^0_S → p\bar{p}p\bar{p})$

Searches for the rare hadronic decays $B^0 → p\bar{p}p\bar{p}$ and $B^0_S → p\bar{p}p\bar{p}$ are performed using proton-proton collision data recorded by the LHCb experiment and corresponding to an integrated luminosity of 9 fb –1 . Significances of 9.3⁢σ and 4.0⁢σ, including statistical and systematic uncertainties, are obtained for the $B^0 → p\bar{p}p\bar{p}$ and $B^0_S → p\bar{p}p\bar{p}$ signals, respectively. The branching fractions are measured relative to the topologically similar normalization decays B 0 → J/ψ⁢(→ $p\bar{p}$)⁢K* 0 ⁡(→ K + ⁡π – ) and B$^0_s$→J/ψ⁢(→ $p\bar{p}$) $\phi$(→K + ⁢K – ). The branching fractions are measured to be $\mathcal{B}(B^0 → p\bar{p}p\bar{p})$ = (2.2 ± 0.4 ± 0.1 ± 0.1)×10 –8 and $\mathcal{B}(B^0_S → p\bar{p}p\bar{p})$ = (2.3 ± 1.0 ± 0.2 ± 0.1)×10 –8 . In these measurements, the first uncertainty is statistical, the second is systematic, and the third one is due to the external branching fraction of the normalization channel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Light and Strange Vector Resonances from Lattice QCD at Physical Quark Masses

We present the first ab initio calculation at physical quark masses of scattering amplitudes describing the lightest pseudoscalar mesons interacting via the strong force in the vector channel. Using lattice quantum chromodynamics, we postdict the defining parameters for two short-lived resonances, the ρ(770) and K*(892) which manifest as complex energy poles in ππ and Kπ scattering amplitudes, respectively. The calculation proceeds by first computing the finite-volume energy spectrum of the two-hadron systems and then determining the amplitudes from the energies using the Lüscher formalism. The error budget includes a data-driven systematic error, obtained by scanning possible fit ranges and fit models to extract the spectrum from Euclidean correlators, as well as the scattering amplitudes from the latter. The final results, obtained by analytically continuing multiple parametrizations into the complex energy plane, are M ρ = 796(5)(50)MeV, Γ ρ = 192(10)(31) MeV, M K* = 893(2)(54) MeV, and Γ K = 51(2)(11) MeV, where the subscript indicates the resonance and M and Γ stand for the mass and width, respectively, and where the first bracket indicates the statistical and the second bracket the systematic uncertainty.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Materials preparation, single-crystal growth, and the phase diagram of the cuprate high-temperature superconductor La 1.6-x Nd 0.4 Sr x CuO 4

One branch of the La-214 family of cuprate superconductors, La 1.6-x Nd 0.4 Sr x CuO 4 (NdLSCO), has been of significant and sustained interest, in large part because it displays the full complexity of the phase diagram for canonical hole-doped, high TC superconductivity, while also displaying relatively low superconducting critical temperatures. The low superconducting TC’s imply that experimentally accessible magnetic fields can suppress the superconductivity to zero temperature. In particular, this has enabled various transport and thermodynamic studies of the T = 0 ground state in Nd-LSCO, free of superconductivity, across the critical doping p* = 0.23 where the pseudogap phase ends. The strong dependence of its superconducting properties on its crystal symmetry has itself motivated careful studies of the Nd-LSCO structural phase diagram. This paper provides a systematic study and summary of the materials preparation and characterization of both single crystal and polycrystalline samples of Nd-LSCO. Single-phase polycrystalline samples with x spanning the range from 0.01 to 0.40 have been synthesized, and large single crystals of La 1.6-x Nd 0.4 Sr x CuO 4 for select x across the region (0.07, 0.12, 0.17, 0.19, 0.225, 0.24, and 0.26) were grown by the optical floating zone method. Furthermore, systematic neutron and X-ray diffraction studies on these samples were performed at both low and room temperatures, 10 K and 300 K, respectively. These studies allowed us to follow the various structural phase transitions and propose an updated structural phase diagram for NdLSCO. In particular, we found that the low-temperature tetragonal (LTT) phase ends at a critical doping p LTT = 0.255±0.005, clearly separated from p*.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Cation and anion topotactic transformations in cobaltite thin films leading to Ruddlesden-Popper phases.

Topotactic transformations involve structural changes between related crystal structures due to a loss or gain of material while retaining a crystallographic relationship. The perovskite oxide La0.7Sr0.3CoO3 (LSCO) is an ideal system for investigating phase transformations due to its high oxygen vacancy conductivity, relatively low oxygen vacancy formation energy, and strong coupling of the magnetic and electronic properties to the oxygen stoichiometry. While the transition between cobaltite perovskite and brownmillerite (BM) phases has been widely reported, further reduction beyond the BM phase lacks systematic studies. In this paper, we study the evolution of the physical properties of LSCO thin films upon exposure to highly reducing environments. We observe the rarely reported crystalline Ruddlesden-Popper phase, which involves the loss of both oxygen anions and cobalt cations upon annealing where the cobalt is found as isolated Co ions or Co nanoparticles. First-principles calculations confirm that the concurrent loss of oxygen and cobalt ions is thermodynamically possible through an intermediary BM phase. The strong correlation of the magnetic and electronic properties to the crystal structure highlights the potential of utilizing ion migration as a basis for emerging applications such as neuromorphic computing.

Chiu, I-Ting↗
DOE OSTI2022

Data-driven approach to parameterize SCAN + U for an accurate description of 3 d transition metal oxide thermochemistry

Semilocal density-functional theory (DFT) methods exhibit significant errors for the phase diagrams of transition-metal oxides that are caused by an incorrect description of molecular oxygen and the large self-interaction error in materials with strongly localized electronic orbitals. Empirical and semiempirical corrections based on the DFT + U method can reduce these errors, but the parameterization and validation of the correction terms remains an on-going challenge. Here we develop a systematic methodology to determine the parameters and to statistically assess the results by considering interlinked thermochemical data across a set of transition metal compounds. We consider three interconnected levels of correction terms: (1) a constant oxygen binding correction, (2) Hubbard-U correction, and (3) DFT/DFT + U compatibility correction. The parameterization is expressed as a unified optimization problem. We demonstrate this approach for 3d transition metal oxides, considering a target set of binary and ternary oxides. With a total of 37 measured formation enthalpies taken from the literature, the dataset is augmented by the reaction energies of 1710 unique reactions that were derived from the formation energies by systematic enumeration. To ensure a balanced dataset across the available data, the reactions were grouped by their similarity using clustering and suitably weighted. The parameterization is validated using leave-one-out cross validation (CV), a standard technique for the validation of statistical models. We apply the methodology to the strongly constrained and appropriately normed (SCAN) density functional. Based on the CV score, the error of binary (ternary) oxide formation energies is reduced by 40% (75%) to 0.10 (0.03) eV/atom. A simplified correction scheme that does not involve SCAN/SCAN + U compatibility terms still achieves an error reduction of 30% (25%). The method and tools demonstrated here can be applied to other classes of materials or to parameterize the corrections to optimize DFT + U performance for other target physical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds

X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimental spectra and draw physical insights. Recently, there has also been growing interest in building computational XAS databases to enable data analytics and machine learning applications. However, there are non-trivial differences among commonly used XAS simulation codes, both in underlying theoretical formalism and in technical implementation. Reliable and reproducible computational XAS databases require systematic benchmark studies. In this work, we benchmarked Ti K-edge XAS simulations of ten representative Ti-O binary compounds, which we refer to as the Ti-O-10 dataset, using three state-of-the-art codes: XSPECTRA, OCEAN and exciting. We systematically studied the convergence behavior with respect to the input parameters and developed a workflow to automate and standardize the calculations to ensure converged spectra. Our benchmark comparison considers a 35 eV spectral range starting from the K-edge onset, representative of widely used near-edge spectra. Quantitative comparison over this range is based on Spearman’s rank correlation score (r sp ). Our results show: (1) the two Bethe-Salpeter equation (BSE) codes (OCEAN and exciting) have excellent agreement with an average $r$ $sp$ of 0.998; (2) good agreement is obtained between the core-hole potential code (XSPECTRA) and BSE codes (OCEAN and exciting) with an average $r$ $sp$ of 0.990, and this smaller $r$ $sp$ reflects the noticeable differences in the main edge spectral shape that can be primarily attributed to the difference in the strength of the screened core-hole potential; (3) simulations from both methods overall reproduce well the main experimental spectral features of rutile and anatase, and the different treatments of the screened core-hole potential have visible impact on pre-edge intensities and the peak ratio of the main edge; (4) there exist moderate differences in the relative edge alignment of the three codes with a standard deviation of about 0.2 eV, which arise from multiple contributions including the frozen core approximation, final state effects, and different approximations used for the self-energy correction. In conclusion, our benchmark study provides important standards for first-principles XAS simulations with broad impact in data-driven XAS analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Measuring the angular momentum of a neutron using Earth's rotation

A coupling between Earth's rotation and orbital angular momentum (OAM), known as the Sagnac effect, is observed in entangled neutrons produced using a spin-echo interferometer. After correction for instrument systematics the measured coupling is within 5% of theory, with an uncertainty of 7.2%. The OAM in our setup is transverse to the propagation direction and scales linearly with neutron wavelength (4–12.75 Å), so the Sagnac coupling can be varied without mechanically rotating the device, which avoids systematic errors present in previous experiments. The detected transverse OAM of our beam corresponds to 4098 ± 295 ℏ Å − 1 , 10 5 times lower than in the previous neutron experiments. This demonstrates the feasibility of using the Sagnac effect to definitively measure neutron OAM and paves the way towards a future observation of the quantum Sagnac effect. Published by the American Physical Society 2025

Geerits, Niels (ORCID:0000000248072084)↗
DOE OSTI2026

Path-integral predictions for preasymptotic quantum tunneling

When tunneling occurs out of generic initial states, a significant fraction of probability is lost at early times, during which the dynamics is governed by excited resonance states. However, first-principles analyses based on path-integrals have only captured the leading asymptotic behavior, during which the tunneling rate is dominated by the false vacuum contribution. In this work, we discuss the behavior in the preasymptotic regime from a first-principles path-integral perspective. We demonstrate how the relevant expressions can be evaluated systematically through semiclassical methods in the recently developed steadyon picture. This approach allows one to trace the role of the relevant physical scales, making transparent the underlying assumptions and approximations, and offering a clear path to establishing a systematically improvable framework to evaluate tunneling rates nonperturbatively.

Lin, Joshua↗
DOE OSTI2025

Isotropy of Hubble Expansion in the Early and Late Universe

We test the isotropy of Hubble expansion by combining several probes for the first time, constructing full-sky maps of expansion rate variation using Type Ia supernovae, fundamental plane galaxies, and cosmic microwave background (CMB) temperature fluctuations. We find no hint of anisotropy or correlation between early- and late-Universe expansion across all systematic models. The 99% confidence upper limits on expansion rate anisotropy are 0.39% for low-redshift supernovae, 0.95% for high-redshift CMB, and 0.37% when combined at a 60-degree smoothing scale. A significant anomaly in the fundamental plane residual map may reflect systematics in the current dark energy spectroscopic instrument dataset, as evidenced by the absence of cross-correlation with other tracers and its correlation with spatial density variations.

Zhou, Alan Junzhe [Chicago U.; Chicago U., KICP] (↗
DOE OSTI2025

Connecting relativistic density functional theory to microscopic calculations

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For global nuclear calculations, density functional theories (DFTs) have been developed to reduce the complexity and computational cost required in describing nuclear systems. However, DFT often makes approximations and assumptions about terms included in the functional, which may introduce systematic uncertainties compared to microscopic calculations using EFTs. In this work, we investigate possible avenues of improving nuclear DFT using nonlinear relativistic mean-field (RMF) theory. We explore the impact of RMF model extensions by fitting the nonlinear RMF model to predictions of nuclear matter and selected closed-shell nuclei using four successful chiral EFT Hamiltonians. We find that these model extensions are impactful and important in capturing the physics present within chiral Hamiltonians, particularly for charge radii and neutron skins of closed-shell nuclei. However, there are additional effects that are not captured within the RMF model, particularly within the isoscalar sector of RMF theory. Additional model extensions and the reliability of the nonlinear RMF model are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Pion and kaon PDFs from lattice QCD via large momentum effective theory and short-distance factorization

In this paper, we present a first-principles lattice-QCD calculation of the unpolarized quark PDF for the pion and the kaon. The lattice data rely on matrix elements calculated for boosted mesons coupled to non-local operators containing a Wilson line. The calculations on this lattice ensemble correspond to two degenerate light, a strange, and a charm quark (𝑁 𝑓 = 2 + 1 + 1), using maximally twisted mass fermions with a clover term. The lattice volume is 32 3 × 64, with a lattice spacing of 0.0934 fm, and a pion mass of 260 MeV. Matrix elements are calculated for hadron boosts of |𝑃 3 | = 0, 0.41, 0.83, 1.25, 1.66, and 2.07 GeV. To match lattice QCD results to their light-cone counterparts, we employ two complementary frameworks: the large-momentum effective theory (LaMET) and the short-distance factorization (SDF). Using these approaches in parallel, we also test the lattice data to identify methodology-driven systematics. Results are presented for the standard quark PDFs, as well as the valence sector. Beyond obtaining the PDFs, we also explore the possibility of extracting information on SU(3) flavor-symmetry-breaking effects. For LaMET, we also parametrize the momentum dependence to obtain the infinite-momentum PDFs. Since the present calculation is performed on a single ensemble at a pion mass of 260 MeV and fixed lattice spacing, the uncertainties reported are statistical only, and systematic uncertainties remain to be addressed in future multi-ensemble studies.

Miller, Joshua [Temple University, Philadelphia, P↗
DOE OSTI2026

Improving neutrino oscillation measurements through event classification

Precise neutrino energy reconstruction is essential for next-generation long-baseline oscillation experiments, yet current methods remain limited by large uncertainties in neutrino-nucleus interaction modeling. Even so, it is well established that different interaction channels produce systematically varying amounts of missing energy and therefore yield different reconstruction performance–information that standard calorimetric approaches do not exploit. We introduce a strategy that incorporates this structure by classifying events according to their underlying interaction type prior to energy reconstruction. Using supervised machine-learning techniques trained on labeled generator events, we leverage intrinsic kinematic differences among quasielastic scattering, meson-exchange current, resonance production, and deep-inelastic scattering processes. A cross-generator testing framework demonstrates that this classification approach is robust to microphysics mismodeling and, when applied to a simulated DUNE 𝜈 𝜇 disappearance analysis, yields improved accuracy and sensitivity at the 10%–20% level. These results highlight a practical path toward reducing reconstruction-driven systematics in future oscillation measurements.

Ellis, Sebastian A. R. [King's College, London (Un↗
DOE OSTI2025

Crystal structure of a seven-substitution mutant of hydroxynitrile lyase from rubber tree

The α/β-hydrolase fold superfamily includes esterases and hydroxynitrile lyases which, despite catalyzing different reactions, share a Ser–His–Asp catalytic triad. We report a 1.99 Å resolution crystal structure of HNL6V, an engineered variant of hydroxynitrile lyase fromHevea brasiliensis(HbHNL) containing seven amino-acid substitutions (T11G, E79H, C81L, H103V, N104A, G176S and K236M). The structure reveals that HNL6V maintains the characteristic α/β-hydrolase fold while exhibiting systematic shifts in backbone and catalytic atom positions. Compared with wild-typeHbHNL, the C α positions in HNL6V differ by a mean of 0.2 ± 0.1 Å, representing a statistically significant displacement. Importantly, the catalytic triad and oxyanion-hole atoms have moved 0.2–0.8 Å closer to their corresponding positions in SABP2, although they remain 0.3–1.1 Å from fully achieving the configuration of SABP2. The substitutions also increase local flexibility, particularly in the lid domain covering the active site. This structural characterization demonstrates that targeted amino-acid substitutions can systematically shift catalytic geometries towards those of evolutionarily related enzymes.

Biochemistry & Molecular Biology↗