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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Influence of Surface Defects on WO 3 Photoelectrodes for Catalyzing Chloride Oxidation in Water

Tungsten oxide (WO 3 ) is an n-type semiconductor due to oxygen vacancies (□ O •• in Kroger-Vink notation) or surface protonation as H x WO 3 . It is one of the few acid-stable oxides under large positive bias, which makes WO 3 ideal for interrogating the mechanism of the chloride oxidation reaction (COR). The large, positive valence band edge of ∼3 eV provides the overpotential necessary to carry out the COR, but the reaction competes with the oxygen-evolution reaction in water. The □ O •• defect density can be controlled by the atmosphere under which the material is annealed, so WO 3 films were prepared by a spin-coating method from an ammonium metatungstate precursor annealed at 500 °C under air, flowing O 2 , and flowing argon. Annealing the films in a flowing O 2 atmosphere hinders the formation of □ O ••, and annealing in Ar leads to greater surface W 6+ , likely due to expelling intercalated H + . The saturated photocurrent density (j ph ) is highest in films with the greatest concentration of W 5+ and greatest concentration of oxide defects: (0.66 mA/cm 2 annealed in air, 0.58 mA/cm 2 annealed in Ar, and 0.49 mA/cm 2 annealed in O 2 , reported at 1.5 V vs Ag/AgCl, pH 3 (before the onset of a dark reaction). The defect concentrations are determined by X-ray photoelectron spectroscopy. In all cases the Faradaic efficiency for the COR is near unity. Finally, we demonstrate that W 5d states can be probed by ligand K-edge X-ray absorption near-edge spectroscopy via pre-edge (Cl 1s → W 5d) transitions, lower in energy than the ligand-centered (Cl 1s → 4p) transition. We use this analysis to show the presence of W─Cl covalent bonds on the WO 3 films post-COR, corroborated by DFT calculations. Furthermore, this result stands in contrast to the commonly assumed mechanistic proposal invoking outer-sphere electron transfer to a physisorbed chloride ion.

Cl K-edge↗
DOE OSTI2024

A performant energy-conserving particle reweighting method for Particle-in-Cell simulations

A new particle-based reweighting method is developed and demonstrated in the Aleph Particle-in-Cell with Direct Simulation Monte Carlo (PIC-DSMC) program. Novel splitting and merging algorithms ensure that modified particles maintain physically consistent positions and velocities. This method allows a single reweighting simulation to efficiently model plasma evolution over orders of magnitude variation in density, while accurately preserving energy distribution functions (EDFs). Demonstrations on electrostatic sheath and collisional rate dynamics show that reweighting simulations achieve accuracy comparable to fixed weight simulations with substantial computational time savings. This highly performant reweighting method is recommended for modeling plasma applications that require accurate resolution of EDFs or exhibit significant density variations in time or space.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Smooth trends in fermium charge radii and the impact of shell effects

The quantum-mechanical nuclear-shell structure determines the stability and limits of the existence of the heaviest nuclides with large proton numbers Z ≳ 100. Shell effects also affect the sizes and shapes of atomic nuclei, as shown by laser spectroscopy studies in lighter nuclides. However, experimental information on the charge radii and the nuclear moments of the heavy actinide elements, which link the heaviest naturally abundant nuclides with artificially produced superheavy elements, is sparse. Here we present laser spectroscopy measurements along the fermium (Z = 100) isotopic chain and an extension of data in the nobelium isotopic chain (Z = 102) across a key region. Multiple production schemes and different advanced techniques were applied to determine the isotope shifts in atomic transitions, from which changes in the nuclear mean-square charge radii were extracted. A range of nuclear models based on energy density functionals reproduce well the observed smooth evolution of the nuclear size. Both the remarkable consistency of model prediction and the similarity of predictions for different isotopes suggest a transition to a regime in which shell effects have a diminished effect on the size compared with lighter nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

51 V NMR evidence for interlayer-modulated charge order and a first-order low-temperature transition in CsV 3 ⁢Sb 5

Charge order in the kagome superconductor CsV 3 ⁢Sb 5 exhibits a complex three-dimensional organization and intermediate-temperature anomalies whose bulk character has remained unsettled. We use orientation-dependent 51 V NMR as a site-selective probe to determine the stacking of the charge density wave (CDW) state and its thermal evolution. Below 𝑇 CDW ≈ 94K, the field-linear splitting of the 51 V central transition together with the anisotropy of the Knight shift tensor identify an interlayer-modulated 3⁢𝑞 CDW whose local environments are consistent with a four-layer 2 × 2 × 4 stacking with mixed trihexagonal/Star-of-David distortions, in agreement with synchrotron x-ray determinations. For comparison, RbV 3 ⁢Sb 5 serves as a reference exhibiting a uniform trihexagonal 2 × 2 × 2 stacking, allowing us to isolate features unique to the 2 × 2 × 4 state in CsV 3 ⁢Sb 5 . With 𝐻 0 ∥ 𝑐, the 51 V quadrupolar satellites through the intermediate temperature scale near 𝑇 CO ≈ 65K reorganize into two well-resolved electric-field-gradient manifolds that coexist over a finite interval; their relative spectral weights interchange on cooling while the total integrated satellite intensity remains conserved and 𝜈 𝑄 within each manifold is nearly temperature independent. The coexistence without critical broadening, together with conserved intensity, provides bulk evidence consistent with a first-order charge-order transition near 𝑇 CO . Our measurements do not resolve whether this lower-temperature transition corresponds to a distinct in-plane order or a reorganization of the 3⁢𝑞 state; rather, they delimit this window and provide bulk, site-resolved constraints that connect prior reported anomalies to a thermodynamic first-order transition.

Wang, Xiaoling [California State Univ., East Bay, ↗
DOE OSTI2024

Long-range magnetic order induced surface state in GdBi and DyBi

The recent discovery of unconventional surface-state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered rare-earth monopnictides attracted the interest in these materials. Here, we use angle-resolved photoemission spectroscopy measurements in conjunction with density functional theory calculations to investigate the evolution of the electronic structure of GdBi and DyBi. We find that new surface states, including a Dirac cone, emerge in the antiferromagnetic (AFM) state. However, they are located along a direction in momentum space that is different than what was found in NdSb, NdBi, and CeBi. The observed changes in the electronic structure are consistent with the presence of AFM-II-A type order.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fast-ion-driven Alfvén eigenmodes during ICRF-heated high β p plasmas on EAST

Fast-ion-driven Alfvén eigenmodes (AEs) are observed during ICRF-heated high-β p plasmas on EAST. Multiple high frequency modes are observed for shot 112670 at f TAE1 ~ 145 kHz, δB/B ~ 4 × 10 –4 and f TAE2 ~ 175 kHz, δB/B ~ 1.2 × 10 –5 measured by high-frequency Mirnov coils, at B 0 ~ 2.45 T, I p ~ 350kA, n e ramp-up from 3.5 × 10 19 to 4 × 10 19 m −3 at P ECRH ~ 2 MW, PLHW ~ 2 MW, and P ICRH ~ 2.1 MW. Here, 37 MHz ICRF minority hydrogen heating scheme, located at plasma core, creates fast ion population which drives TAEs unstable from TORIC + SFFPQL. In the experiment, it is observed that the evolution of mode frequency depends on electron density, following the theoretical TAE frequency characteristic $f_{{{\text{th}}}} = V_{{\text{a}}} /(4\pi qR) \propto \sqrt {n_{{\text{e}}} }$. As the electron density increases, the amplitude of the AE mode progressively diminishes. Higher plasma density shortens the fast-ion slowing-down time, reduces the heating efficiency of minority hydrogen, weakens the high-energy tail, and consequently decreases the fast-ion beta. Based on the diagnostic results from the microwave reflectometer and electron cyclotron emission (ECE) diagnostics, the TAE is located within the plasma core, consistent with the narrower core region of the TAE gap observed in the continuous spectrum.

Pan, C. Y. [Chinese Academy of Sciences, Hefei (Ch↗
DOE OSTI2025

LAROMance Grade 91 Model Integration in NEML2

New reactor designs are targeting higher operating temperatures for increased thermal efficiency when compared to the current fleet of light water reactors. Designing structural components for these high temperature environments with reliable long-term operations requires material models that can accurately capture the deformation mechanisms active in these environments. The LAROMance surrogate material models are based on a database of mechanistic crystal plasticity simulations for high-temperature conditions. Inputs to the LAROMance models reflect the microstructural pedigree of the material, like dislocation densities and precipitate contents. Based on the evolution of these microstructural features, the LAROMance model provides the engineering scale constitutive model response. The LAROMance model was recently parameterized for Grade 91, a high temperature alloy. In the present work, the Grade 91 LAROMance model is implemented in the New Material Model Library, version 2 (NEML2). NEML2 provides a modular way to build material models from smaller blocks and was developed to vectorize the material update to efficiently run on modern computational architectures with graphics processing unit accelerators. NEML2 constitutive models can be used in simulations based on the multiphysics object-oriented simulation environment (MOOSE). This report provides details on the implementation of the Grade 91 LAROMance model in NEML2 and its verification of engineering scale finite element simulations in MOOSE.

42 - ENGINEERING↗
DOE OSTI2026

Confinement Reconstruction Unlocks Stable Ru Single Atom-Doped IrO x Anodes for Long-Term High-Rate CO 2 Electrolysis

IrO 2 is a commonly employed anode catalyst for CO 2 electrolysis in membrane electrode assembly (MEA) systems. However, under high current densities, its structural reconstruction leads to activity loss and stability degradation, limiting the industrial viability of CO 2 electrolysis. In this work, we demonstrated a confinement reconstruction strategy to precisely regulate the structural evolution during electrolysis. Ethylene glycol serves as a structural modulator, protecting the catalyst surface, suppressing soluble species formation, and promoting ordered structural evolution. Single-atom Ru acts as a stability enhancer, forming robust Ir–O–Ru bridging structures that facilitate an ordered transformation from a 4-fold [RuO 4 ]/[IrO 4 ] to a 6-fold symmetry [RuO 6 ]/[IrO 6 ] octahedral framework, thereby enhancing structural rigidity and long-term stability. As a result, in MEA-based CO 2 electrolysis, the catalyst achieves a stable operation at 200 mA cm –2 for 480 h, maintaining a CO selectivity above 80%. Theoretical calculations further elucidate that the enhanced stability originates from the suppression of oxygen vacancy formation, making the lattice-oxygen-mediated mechanism (LOM) potentially less favorable. This work provides insights into the structural evolution of the OER catalysts under high-current-density conditions, paving the way for large-scale CO 2 electrolysis commercialization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

On the statistical theory of self-gravitating collisionless dark matter flow: Scale and redshift variation of velocity and density distributions

The statistics of velocity and density fields are crucial for cosmic structure formation and evolution. Here, this paper extends our previous work on the two-point second-order statistics for the velocity field [Phys. Fluids 35, 077105 (2023)] to one-point probability distributions for both density and velocity fields. The scale and redshift variation of density and velocity distributions are studied by a halo-based non-projection approach. First, all particles are divided into halo and out-of-halo particles so that the redshift variation can be studied via generalized kurtosis of distributions for halo and out-of-halo particles, respectively. Second, without projecting particle fields onto a structured grid, the scale variation is analyzed by identifying all particle pairs on different scales $r$. We demonstrate that: (i) Delaunay tessellation can be used to reconstruct the density field. The density correlation, spectrum, and dispersion functions were obtained, modeled, and compared with the N-body simulation; (ii) the velocity distributions are symmetric on both small and large scales and are non-symmetric with a negative skewness on intermediate scales due to the inverse energy cascade on small scales with a constant rate $\varepsilon_u$; (iii) On small scales, the even order moments of pairwise velocity $\Delta u_L$ follow a two-thirds law $\propto{(-\varepsilon_ur)}^{2/3}$, while the odd order moments follow a linear scaling $\langle(\Delta u_L)^{2n+1}\rangle=(2n+1)\langle(\Delta u_L)^{2n}\rangle\langle\Delta u_L\rangle\propto{r}$; (iv) The scale variation of the velocity distributions was studied for longitudinal velocities $u_L$ or $u_L^{'}$, pairwise velocity (velocity difference) $\Delta u_L$=$u_L^{'}$-$u_L$ and velocity sum $\Sigma u_L$=$u^{'}_L$+$u_L$. Fully developed velocity fields are never Gaussian on any scale, despite that they can initially be Gaussian; (v) On small scales, $u_L$ and $\Sigma u_L$ can be modeled by a $X$ distribution to maximize the entropy of the system. The distribution of $\Delta u_L$ can be different; (vi) On large scales, $\Delta u_L$ and $\Sigma u_L$ can be modeled by a logistic or a $X$ distribution, while $u_L$ has a different distribution; (vii) the redshift variation of the velocity distributions follows the evolution of the $X$ distribution involving a shape parameter $\alpha(z)$ decreasing with time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

In Situ Characterization of Interface Evolution in Argyrodite‐Based All‐Solid‐State Li Batteries

Interfacial stability is one of the critical challenges in all-solid-state Li metal batteries. Multiple processes such as solid electrolyte (SE) decomposition and lithium dendrite growth take place at the solid interfaces during cycling, leading to the overall cell failure. To deconvolute these complex processes, in situ characterization is of paramount importance to elucidate the interfacial evolution on the SE upon Li plating/stripping. Herein, an all-solid-state asymmetric in situ cell is developed that allows the direct visualization of the highly localized Li plating/stripping processes under the optical microscope. Moreover, this cell configuration enables reliable post-mortem chemical and morphological analysis of the intact SE/Li interface. Using combined scanning electron microscopy and energy-dispersive X-ray spectroscopy, the study reveals that the evolution of the Li argyrodite interface is strongly influenced by the current density, particularly in terms of chemical distribution and Li plating morphology. More specifically, the solid interface is LiCl-rich with the formation of Li cubes at low current densities, while high currents result in more uniform elemental distribution and filament morphology. These findings elucidate the dynamic evolution mechanism at solid interfaces and offer valuable guidance for developing stable solid interfaces in all-solid-state Li metal batteries.

Huang, Di↗
DOE OSTI2025

Phase-field modeling of radiation-induced composition redistribution: An application to additively manufactured austenitic Fe–Cr–Ni

Multicomponent alloys undergoing irradiation damage develop radiation-induced composition redistribution at point defect sinks such as grain boundaries (GBs) and dislocations. Such redistribution results in undesired changes to their mechanical behavior and corrosion resistance. Additively manufactured alloys proposed for future nuclear applications are expected to demonstrate a distinct response to irradiation owing to their unique microstructure with as-solidified dislocation density and chemical microsegregation. To capture the composition redistribution in such systems, we develop a mesoscale model with coupled evolution of atomic and point defect components in the presence of dislocation density, dislocation heterogeneity, and thermodynamic interactions at the GB. The model is parameterized for an FCC Fe–Cr–Ni alloy as a representative system for austenitic stainless steels, and simulations are performed in 1D and 2D as a function of irradiation temperature, dose, dislocation density, and grain size. Radiation-induced segregation (RIS) characterized by Cr depletion and Ni enrichment is predicted at both the GB and the dislocation cell wall, with RIS being lower in magnitude but wider at the cell wall. Strongly biased absorption of self-interstitials by dislocations is found to suppress Ni enrichment but slightly enhance Cr depletion under certain conditions. Thermodynamic segregation at the GB is predicted to be narrower and opposite in sign to RIS for both Cr and Ni. Importantly, non-monotonic segregation is found to occur when both thermodynamic and RIS mechanisms are considered, providing a novel physical interpretation of experimental observations. The model is expected to serve as a key tool in accelerated qualification of irradiated materials.

additively manufactured microstructure↗
DOE OSTI2025

Evolution of Structure and Magnetism in FeCl 2 and FeCl 3 : From Clusters to Monolayers

In this work, we address one of the most fundamental questions in cluster science─how do the structure and properties evolve from clusters to crystals? Using density functional theory (DFT), we focus our study on the evolution of structure and magnetism in iron-chloride systems, from clusters to monolayers. The choice of this system is motivated by the recent experimental confirmation of one of the author’s earlier theoretical prediction that the FeCl 2 cluster is magnetic with a spin magnetic moment of 4 μ B localized at the Fe site, while its dimer, Fe 2 Cl 4 , is antiferromagnetic. Similarly, FeCl 3 cluster is magnetic with a total spin magnetic moment of 5 μ B , with 4 μ B localized at the Fe site and 1 μ B distributed over the Cl sites. The dimer clusters Fe 2 Cl 4 and Fe 2 Cl 6 have an antiferromagnetic ground state, and upon Li-functionalization, both can be magnetically transformed from antiferromagnetic to ferromagnetic states. In contrast, FeCl 2 and FeCl 3 monolayers exhibit different magnetic ground states in their periodic forms: FeCl 2 is ferromagnetic (FM), but in FeCl 3 , the antiferromagnetic (AFM) and FM states are energetically nearly degenerate. Such a difference arises due to the different chemical coordination of the Fe atoms with the Cl atoms, caused by their different oxidation states, which is +2 in FeCl 2 and +3 in FeCl 3 , respectively. Interestingly, Li-functionalization allows both FeCl 3 and FeCl 2 monolayers to be ferromagnetic. Our study highlights that several, but not all, electronic and magnetic characteristics of isolated clusters are preserved in the extended periodic structures. This systematic investigation of iron-halide clusters is expected to inspire further experimental and theoretical exploration into the magnetism of other transition metal halides.

cluster chemistry↗
DOE OSTI2025

The effect of heat treatment on the defect evolution in LPBF 316H stainless steel

This work investigates the effect of processing and heat treatment on defect evolution and irradiation response of laser powder bed fusion (LPBF) 316H stainless steel, with comparisons to LPBF 316L and wrought 316L/316H. Using in-situ and ex-situ ion irradiations across a wide parameter space—temperature (300–675 °C), dose (0.2–25 dpa), dose rate (10 -3 –10 -5 dpa/s), and helium co-implantation (20–2500 appm)—we correlated void swelling, dislocation loop evolution, and segregation behavior with pre-irradiation microstructures (as-built, stress-relieved, solution-annealed, and cold-worked). Results show that swelling is strongly controlled by dislocation density: intermediate densities maximize swelling, while solution annealing or cold working reduce susceptibility to levels comparable to wrought alloys. Low dose rates and helium both promote cavity nucleation and lower the incubation barrier, with helium suppressing the role of dislocation density and driving swelling behavior toward wrought-like response. Loop evolution in SA LPBF 316H resembles wrought 316L but shows localized denuded zones near low-angle grain boundaries. STEM-EDS mapping further revealed Ni segregation at voids and sparse Al-rich oxides, without evidence of Ni–Si precipitates. Collectively, these findings identify dislocation density, helium content, and dose rate as the factors governing swelling in LPBF 316H and provide mechanistic datasets for model validation, supporting LAIN and the qualification of AM austenitic steels for nuclear service.

316 stainless steel↗
DOE OSTI2024

High-fidelity dimer excitations using quantum hardware

The quantum simulation of entangled spin systems can play a central role in quantum magnetic materials discovery. Additionally, the simulation of spectroscopic signatures, such as the dynamical structure factor accessed in inelastic neutron scattering (INS), necessitates a long timescale for circuit evolution. This is because the energy resolution is directly related to the time over which the circuit could be meaningfully evolved. However, canonical Trotterization requires deep circuits precluding such long-time evolution—even for a small number of qubits. Here, in this study, we demonstrate “direct” resource efficient fast-forwarding (REFF) measurements with short-depth circuits that can be used to capture longer time dynamics of spin Hamiltonians. We showcase the results of the dynamics of a quantum spin dimer, the basic quantum unit of emergent many-body spin systems, whose density of states we simulate accurately. The long temporal evolution and measurement of the two-spin correlation functions enable the calculation of the dynamical structure factor S⁡(Q = 0, ω) measured in the neutron scattering cross-section. We exhibit the clarity of the triplet gap and the triplet splitting of the quantum dimer with class-leading fidelity that enables comparison to experimental neutron data. Our results on current circuit hardware outline an important workflow to predict and benchmark against the outputs of INS experiments of quantum magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

The influence of iron incorporation on the microstructure and crystal chemistry of UO 2 fuel

The incorporation of dopants into UO 2 is of interest for both doped advanced fuel and nuclear forensics research. Suitable forensics dopants, or taggants, for nuclear fuels are ones that do not adversely affect the performance of the parent material while still being traceable during key stages of the fuel’s life cycle. In this paper, we present our efforts to understand the effects of doping UO 2 with Fe 2 O 3 under multiple parameters, such as Fe concentration (0–3000 wppm), sintering temperature (1673 K, 1773 K, and 1973 K), sintering time (2–12 h), and atmosphere (reducing and inert). Here, we investigated densification behavior, microstructure evolution, and lattice defects based on the geometric densities, scanning electron microscopy (SEM), X-ray diffractograms, and Raman spectra. The effect of Fe on the microstructure and crystal chemistry of UO 2 is very complex, especially at the intermediate temperature (1773 K), where we found that densification kinetics are enhanced and that lattice contraction occurs for doping concentrations greater than 1000 wppm Fe.

Crystallography↗
DOE OSTI2026

Angular momentum of vacuum bubbles in a first-order phase transition

The formation of primordial black holes (PBHs) during a first-order phase transition (FOPT) in a dark sector has been of recent interest. A quantity that characterizes a black hole is its spin. We carry out the first step towards determining the spin of such PBHs, by calculating the spin of spherical false vacuum bubbles induced by cosmological perturbations. The angular momentum is given by the product of density and velocity perturbations. We carefully track the evolution of background quantities and calculate the transfer functions during the FOPT. We find that the dimensionless spin parameter s = J /(G N M 2 ) of false vacuum bubbles of mass M and angular momentum J , take a wide range of values from 𝒪(10 -5 ) to 𝒪(10) for FOPTs between 10 keV and 100 GeV and a dark sector that is 0.1 to 0.4 times cooler than the visible sector. We also find a scaling relation between the root-mean-square value of the spin, the FOPT time scale, the bubble wall velocity, and the dark sector-to-visible sector temperature ratio.

cosmological phase transitions↗
DOE OSTI2025

Radio AGN selection in LoTSS DR2

ABSTRACT The wide-area component of the LOFAR Two-Metre Sky Survey (LoTSS) is currently the largest radio survey ever carried out, and a large fraction of the 4.5 million radio sources it contains have been optically identified with galaxies or quasars with spectroscopic or photometric redshifts. Identification of radio-luminous active galactic nucleus (AGN) from this LoTSS source catalogue is not only important from the point of view of understanding the accretion history of the universe, but also enables a wide range of other science. However, at present the vast majority of the optical identifications lack spectroscopic information or well-sampled spectral energy distributions. We show that colour and absolute magnitude information from the Wide-Field Infrared Survey Explorer (WISE) allows for the robust and efficient selection of radio AGN candidates, generating a radio AGN candidate sample of around 600 000 objects with flux density $> 1.1$ mJy, spanning 144-MHz luminosities between $10^{21}$ and $10^{29}$ W Hz$^{-1}$. We use the catalogue to constrain the total sky density of radio-luminous AGN and the evolution of their luminosity function between $z=0$ and $z\approx 1$, and show that the typical mass of their host galaxies, around $10^{11} {\rm M}_\odot$, is essentially independent of radio luminosity above around $L_{144} \approx 10^{24}$ W Hz$^{-1}$. Combining with Very Large Array Sky Survey (VLASS) data, we show that the core prominences, radio spectral indices and variability of extended sources from the sample are qualitatively consistent with the expectations from unified models. A catalogue of the radio AGN candidates is released with this paper.

Hardcastle, M. J. (ORCID:0000000342231117)↗
DOE OSTI2026

Real-time simulation of asymmetry generation in fermion-bubble collisions

Motivated by the out-of-equilibrium dynamics during an early-Universe first-order phase transition, we perform real-time simulations of fermion-bubble scattering in 1 + 1 dimensions. This nonequilibrium process can generate a charge-conjugation C asymmetry outside the bubble wall, induced by the complex fermion mass profile. The resulting C asymmetry is the 1 + 1 -dimensional analog of the C P asymmetry in 3 + 1 dimensions, a key ingredient in baryon asymmetry generation at the electroweak scale. Using tensor network methods, we track the real-time evolution of the C asymmetry in the charge density as the fermion interacts with the bubble wall, a regime inaccessible to analytic calculations. We further introduce two observables to quantify the asymmetry in the asymptotic region where reflected particles are well separated from the scattering point: one based on the net charge outside the bubble wall, and the other on the spatial displacement between the reflected particle and antiparticle wave packets. Our study represents a first step toward nonperturbative, real-time computations of C P asymmetry in 3 + 1 dimensions for electroweak baryogenesis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗