arXiv subjects

S. Krieg

Publications and source records attributed to S. Krieg.

At least 19 recordsLinked to original sources

arXiv2026

Economical and ecological impact of sector coupling applied to computing clusters

The rising share of abundant renewable energy inevitably increases volatility in the electricity production. The concept of sector coupling means that the volatility of electricity production to a large degree can be absorbed by dispatching electricity consumption whenever excess renewable energy is available. A system that is dynamically operated based on this principle can lower its total environmental impact. In addition, operational costs might be reducible as electricity prizes strongly depend on the residual load of the energy system. High-performance computing clusters in the field of science represent an ideal testing ground for such dynamic operation. Short-term delays in computing results due to electricity production being associated with high costs or carbon emissions are often negligible, provided that an overall computing target remains constant over long time periods. This study simulates the simplified operation of computing clusters using publicly available data on electricity production in Germany. The optimal utilisation along with associated carbon emission and cost reductions are determined separately. Hardware acquisition costs and embedded emissions are taken into account. The stability of a fixed computing target given the determined utilisation optima is evaluated in two validation periods. Additional simulations with modified parameters are carried out to estimate potential conditions under which dynamic operation of a computing cluster would continue to enable savings in the future.

cs.DC↗

arXiv2025

Using Exascale Computing to Explain the Delicate Balance of Nuclear Forces in the Universe

The vast majority of visible matter in our universe comes from protons and neutrons (the nucleons). Nucleon interactions are fundamental to how the universe developed after the Big Bang and govern all nuclear phenomena. The subtle balance in how two nucleons interact shapes the universe's hydrogen content that is central to our existence. Our objective is to compute the interaction strength while varying the parameters of nature to understand how delicate this balance is. We developed a new code using sophisticated physics algorithms and a highly optimized library for simulations on CPU-GPU parallel architectures. It has excellent weak scaling and impressive linear scaling for a fixed problem size with increasing number of nodes up to El Capitan's full $\sim$11,000 nodes. On Alps, El Capitan, Frontier, Jupiter, and Perlmutter supercomputers we achieve a maximum disruptive speed-up of $\sim$240 times the previous state-of-the-art, signaling a new era of supercomputing.

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arXiv2025

Nucleon electromagnetic form factors at large momentum from Lattice QCD

Proton and neutron electric and magnetic form factors are the primary characteristics of their spatial structure and have been studied extensively over the past half-century. At large values of the momentum transfer $Q^2$ they should reveal transition from nonperturbative to perturbative QCD dynamics as well as effects of quark orbital angular momenta and diquark correlations. Currently, these form factors are being measured at JLab at momentum transfer up to $Q^2=18$ GeV$^2$ for the proton and up to 14 GeV$^2$ for the neutron. We report preliminary results of our lattice calculations of these form factors, including $G_E$ and $G_M$ nucleon form factors with momenta up to $Q^2=8$ GeV$^2$, pion masses down to the almost-physical $m_\pi$=170 MeV, several lattice spacings down to $a=0.073$ fm, and high $O(10^5)$ statistics. Specifically, we study individual form factors, the $G_E/G_M$ ratios, and flavor dependence of contributions to the form factors. We observe qualitative agreement of our ab initio theory calculations with experiment. Comparison of our calculations and upcoming JLab experimental results will be an important test of nonperturbative QCD methods in the almost-perturbative regime.

hep-lat↗

arXiv2024

Quark orbital angular momentum in the proton from a twist-3 generalized parton distribution

Quark orbital angular momentum in the proton is evaluated via a Lattice QCD calculation of the second Mellin moment of the twist-3 generalized parton distribution $\widetilde{E}_{2T} $ in the forward limit. The connection between this approach to quark orbital angular momentum and approaches previously utilized in Lattice QCD calculations, via generalized transverse momentum-dependent parton distributions and via Ji's sum rule, is reviewed. This connection can be given in terms of Lorentz invariance and equation of motion relations. The calculation of the second Mellin moment of $\widetilde{E}_{2T} $ proceeds via a finite-momentum proton matrix element of a quark bilocal operator with a straight-line gauge connection and separation in both the longitudinal and transverse directions. The dependence on the former component serves to extract the second Mellin moment, whereas the dependence on the latter component provides a transverse momentum cutoff for the matrix element. Furthermore, a derivative of the matrix element with respect to momentum transfer in the forward limit is required, which is obtained using a direct derivative method. The calculation utilizes a clover fermion ensemble at pion mass 317 MeV. The resulting quark orbital angular momentum is consistent with previous evaluations through alternative approaches, albeit with greater statistical uncertainty using a comparable number of samples.

hep-lat↗

arXiv2023

Transverse momentum-dependent parton distributions for longitudinally polarized nucleons from domain wall fermion calculations at the physical pion mass

Previous Lattice QCD calculations of nucleon transverse momentum-dependent parton distributions (TMDs) focused on the case of transversely polarized nucleons, and thus did not encompass two leading-twist TMDs associated with longitudinal polarization, namely, the helicity TMD and the worm-gear TMD corresponding to transversely polarized quarks in a longitudinally polarized nucleon. Based on a definition of TMDs via hadronic matrix elements of quark bilocal operators containing staple-shaped gauge connections, TMD observables characterizing the aforementioned two TMDs are evaluated, utilizing an RBC/UKQCD domain wall fermion ensemble at the physical pion mass.

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arXiv2021

Quark spin-orbit correlations in the proton

Generalized transverse momentum-dependent parton distributions (GTMDs) provide a comprehensive framework for imaging the internal structure of the proton. In particular, by encoding the simultaneous distribution of quark transverse positions and momenta, they allow one to directly access longitudinal quark orbital angular momentum, and, moreover, to correlate it with the quark helicity. The relevant GTMD is evaluated through a lattice calculation of a proton matrix element of a quark bilocal operator (the separation in which is Fourier conjugate to the quark momentum) featuring a momentum transfer (which is Fourier conjugate to the quark position), as well as the Dirac structure appropriate for capturing the quark helicity. The weighting by quark transverse position requires a derivative with respect to momentum transfer, which is obtained in unbiased fashion using a direct derivative method. The lattice calculation is performed directly at the physical pion mass, using domain wall fermions to mitigate operator mixing effects. Both the Jaffe-Manohar as well as the Ji quark spin-orbit correlations are extracted, yielding evidence for a strong quark spin-orbit coupling in the proton.

hep-lat↗

arXiv2020

From Ji to Jaffe-Manohar orbital angular momentum in Lattice QCD using a direct derivative method

A Lattice QCD approach to quark orbital angular momentum in the proton based on generalized transverse momentum-dependent parton distributions (GTMDs) is enhanced methodologically by incorporating a direct derivative technique. This improvement removes a significant numerical bias that had been seen to afflict results of a previous study. In particular, the value obtained for Ji quark orbital angular momentum is reconciled with the one obtained independently via Ji's sum rule, validating the GMTD approach. Since GTMDs simultaneously contain information about the quark impact parameter and transverse momentum, they permit a direct evaluation of the cross product of the latter. They are defined through proton matrix elements of a quark bilocal operator containing a Wilson line; the choice in Wilson line path allows one to continuously interpolate from Ji to Jaffe-Manohar quark orbital angular momentum. The latter is seen to be significantly enhanced in magnitude compared to Ji quark orbital angular momentum, confirming previous results.

hep-lat↗

arXiv2019

Quark orbital angular momentum in the proton evaluated using a direct derivative method

Quark orbital angular momentum (OAM) in the proton can be calculated directly given a Wigner function encoding the simultaneous distribution of quark transverse positions and momenta. This distribution can be accessed via proton matrix elements of a quark bilocal operator (the separation in which is Fourier conjugate to the quark momentum) featuring a momentum transfer (which is Fourier conjugate to the quark position). To generate the weighting by quark transverse position needed to calculate OAM, a derivative with respect to momentum transfer is consequently required. This derivative is evaluated using a direct derivative method, i.e., a method in which the momentum derivative of a correlator is directly sampled in the lattice calculation, as opposed to extracting it a posteriori from the numerical correlator data. The method removes the bias stemming from estimating the derivative a posteriori that was seen to afflict a previous exploratory calculation. Data for Ji OAM generated on a clover ensemble at pion mass $m_{π} = 317\, \mbox{MeV} $ are seen to agree with the result obtained via the traditional Ji sum rule method. By varying the gauge connection in the quark bilocal operator, also Jaffe-Manohar OAM is extracted, and seen to be enhanced significantly compared to Ji OAM.

hep-lat↗

arXiv2018

Hadronic vacuum polarization contribution to the anomalous magnetic moments of leptons from first principles

We compute the leading, strong-interaction contribution to the anomalous magnetic moment of the electron, muon and tau using lattice quantum chromodynamics (QCD) simulations. Calculations include the effects of $u$, $d$, $s$ and $c$ quarks and are performed directly at the physical values of the quark masses and in volumes of linear extent larger than $6\,\mathrm{fm}$. All connected and disconnected Wick contractions are calculated. Continuum limits are carried out using six lattice spacings. We obtain $a_e^\mathrm{LO-HVP}=189.3(2.6)(5.6)\times 10^{-14}$, $a_μ^\mathrm{LO-HVP}=711.1(7.5)(17.4)\times 10^{-10}$ and $a_τ^\mathrm{LO-HVP}=341.0(0.8)(3.2)\times 10^{-8}$, where the first error is statistical and the second is systematic.

hep-lat↗

arXiv2017

Up and down quark masses and corrections to Dashen's theorem from lattice QCD and quenched QED

We present a determination of the corrections to Dashen's theorem and of the individual up and down quark masses from a lattice calculation based on quenched QED and $N_f=2+1$ QCD simulations with 5 lattice spacings down to 0.054 fm. The simulations feature lattice sizes up to 6 fm and average up-down quark masses all the way down to their physical value. For the parameter which quantifies violations to Dashens's theorem we obtain $ε=0.73(2)(5)(17)$, where the first error is statistical, the second is systematic, and the third is an estimate of the QED quenching error. For the light quark masses we obtain, $m_u=2.27(6)(5)(4) \, MeV$ and $m_d=4.67(6)(5)(4) \, MeV$ in the $\overline{MS}$ scheme at $2 \, GeV$ and the isospin breaking ratios $m_u/m_d=0.485(11)(8)(14)$, $R=38.2(1.1)(0.8)(1.4)$ and $Q=23.4(0.4)(0.3)(0.4)$. Our results exclude the $m_u=0$ solution to the strong CP problem by more than 24 standard deviations.

hep-lat↗

arXiv2016

Slope and curvature of the hadron vacuum polarization at vanishing virtuality from lattice QCD

We compute the slope and curvature, at vanishing four-momentum transfer squared, of the leading order hadron vacuum polarization function, using lattice QCD. Calculations are performed with 2+1+1 flavors of staggered fermions directly at the physical values of the quark masses and in volumes of linear extent larger than 6fm. The continuum limit is carried out using six different lattice spacings. All connected and disconnected contributions are calculated, up to and including those of the charm.

hep-lat↗

arXiv2016

Lattice computation of the nucleon scalar quark contents at the physical point

We present a QCD calculation of the $u$, $d$ and $s$ scalar quark contents of nucleons based on $47$ lattice ensembles with $N_f = 2+1$ dynamical sea quarks, $5$ lattice spacings down to $0.054\,\text{fm}$, lattice sizes up to $6\,\text{fm}$ and pion masses down to $120\,\text{MeV}$. Using the Feynman-Hellmann theorem, we obtain $f^N_{ud} = 0.0405(40)(35)$ and $f^N_s = 0.113(45)(40)$, which translates into $σ_{πN}=38(3)(3)\,\text{MeV}$, $σ_{sN}=105(41)(37)\,\text{MeV}$ and $y_N=0.20(8)(8)$ for the sigma terms and the related ratio, where the first errors are statistical and the second are systematic. Using isospin relations, we also compute the individual up and down quark contents of the proton and neutron (results in the main text).

hep-lat↗

arXiv2016

Up and down quark masses and corrections to Dashen's theorem from lattice QCD and quenched QED

In a previous letter (arXiv:1306.2287) we determined the isospin mass splittings of the baryon octet from a lattice calculation based on quenched QED and $N_f{=}2{+}1$ QCD simulations with 5 lattice spacings down to $0.054~\mathrm{fm}$, lattice sizes up to $6~\mathrm{fm}$ and average up-down quark masses all the way down to their physical value. Using the same data we determine here the corrections to Dashen's theorem and the individual up and down quark masses. For the parameter which quantifies violations to Dashens's theorem, we obtain $ε=0.73(2)(5)(17)$, where the first error is statistical, the second is systematic, and the third is an estimate of the QED quenching error. For the light quark masses we obtain, $m_u=2.27(6)(5)(4)~\mathrm{MeV}$ and $m_d=4.67(6)(5)(4)~\mathrm{MeV}$ in the $\bar{\mathrm{MS}}$ scheme at $2~\mathrm{GeV}$ and the isospin breaking ratios $m_u/m_d=0.485(11)(8)(14)$, $R=38.2(1.1)(0.8)(1.4)$ and $Q=23.4(0.4)(0.3)(0.4)$. Our results exclude the $m_u=0$ solution to the strong CP problem by more than $24$ standard deviations.

hep-lat↗

arXiv2016

Sigma term and strangeness content of octet baryons

By using lattice QCD computations we determine the sigma terms and strangeness content of all octet baryons by means of an application of the Hellmann-Feynman theorem. In addition to polynomial and rational expressions for the quark mass dependence of octet members, we use SU(3) covariant baryon chiral perturbation theory to perform the extrapolation to the physical up and down quark masses. Our N_f=2+1 lattice ensembles include pion masses down to about 190 MeV in large volumes (M_πL > 4), and three values of the lattice spacing. Our main results are the nucleon sigma term σ_{πN} = 39(4)(^{+18}_{-7}) and the strangeness content y_{N} = 0.20(7)(^{+13}_{-17}). Under the assumption of validity of covariant baryon χPT in our range of masses one finds y_{N} = 0.276(77)(^{+90}_{-62}).

hep-lat↗

arXiv2015

Ab initio calculation of the neutron-proton mass difference

The existence and stability of atoms rely on the fact that neutrons are more massive than protons. The measured mass difference is only 0.14\% of the average of the two masses. A slightly smaller or larger value would have led to a dramatically different universe. Here, we show that this difference results from the competition between electromagnetic and mass isospin breaking effects. We performed lattice quantum-chromodynamics and quantum-electrodynamics computations with four nondegenerate Wilson fermion flavors and computed the neutron-proton mass-splitting with an accuracy of $300$ kilo-electron volts, which is greater than $0$ by $5$ standard deviations. We also determine the splittings in the $Σ$, $Ξ$, $D$ and $Ξ_{cc}$ isospin multiplets, exceeding in some cases the precision of experimental measurements.

hep-lat↗

arXiv2014

Initial nucleon structure results with chiral quarks at the physical point

We report initial nucleon structure results computed on lattices with 2+1 dynamical Möbius domain wall fermions at the physical point generated by the RBC and UKQCD collaborations. At this stage, we evaluate only connected quark contributions. In particular, we discuss the nucleon vector and axial-vector form factors, nucleon axial charge and the isovector quark momentum fraction. From currently available statistics, we estimate the stochastic accuracy of the determination of $g_A$ and $ _{u-d}$ to be around 10%, and we expect to reduce that to 5% within the next year. To reduce the computational cost of our calculations, we extensively use acceleration techniques such as low-eigenmode deflation and all-mode-averaging (AMA). We present a method for choosing optimal AMA parameters.

hep-lat↗

arXiv2014

Nucleon electromagnetic form factors from lattice QCD using a nearly physical pion mass

We present lattice QCD calculations of nucleon electromagnetic form factors using pion masses $m_π$ = 149, 202, and 254 MeV and an action with clover-improved Wilson quarks coupled to smeared gauge fields, as used by the Budapest-Marseille-Wuppertal collaboration. Particular attention is given to removal of the effects of excited state contamination by calculation at three source-sink separations and use of the summation and generalized pencil-of-function methods. The combination of calculation at the nearly physical mass $m_π$ = 149 MeV in a large spatial volume ($m_πL_s$ = 4.2) and removal of excited state effects yields agreement with experiment for the electric and magnetic form factors $G_E(Q^2)$ and $G_M(Q^2)$ up to $Q^2$ = 0.5 GeV$^2$.

hep-lat↗

arXiv2014

Nucleon Structure from Lattice QCD Using a Nearly Physical Pion Mass

We report the first Lattice QCD calculation using the almost physical pion mass mpi=149 MeV that agrees with experiment for four fundamental isovector observables characterizing the gross structure of the nucleon: the Dirac and Pauli radii, the magnetic moment, and the quark momentum fraction. The key to this success is the combination of using a nearly physical pion mass and excluding the contributions of excited states. An analogous calculation of the nucleon axial charge governing beta decay has inconsistencies indicating a source of bias at low pion masses not present for the other observables and yields a result that disagrees with experiment.

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