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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Ab initio leading order effective potential for elastic proton scattering based on the symmetry-adapted no-core shell model

Calculating microscopic optical potentials for elastic scattering at intermediate energies from light nuclei in an ab initio fashion within the Watson expansion has been established within the last few years. Based on the Watson expansion of the multiple scattering series, we employ a nonlocal translationally invariant nuclear density derived within the symmetry-adapted no-core shell model (SA-NCSM) framework from a chiral next-to-next-to-leading order (NNLO) nucleon-nucleon interaction and the very same interaction for a consistent full-folding calculation of the effective (optical) potential for nucleon-nucleus scattering for medium-heavy nuclei. The leading order effective (optical) folding potential is computed by integrating over a translationally invariant SA-NCSM one-body scalar density, spin-projected momentum distribution, and the Wolfenstein amplitudes 𝐴, 𝐶, and 𝑀. The resulting nonlocal potentials serve as input for a momentum space Lippmann-Schwinger equation. In the SA-NCSM, the model space is systematically up-selected using Sp⁡(3,ℝ) symmetry considerations. For the light nucleus of 6 He, we establish a systematic selection scheme in the SA-NCSM for scattering observables. Then, we apply this scheme to calculations of scattering observables, such as differential cross sections, analyzing powers, and spin rotation functions for elastic proton scattering from 20 Ne and 40 Ca in the energy regime between 65 and 200 MeV, and compare to available data. Furthermore, our calculations show that the leading order effective nucleon-nucleus potential in the Watson expansion of multiple scattering theory obtained from an up-selected SA-NCSM model space describes 40 Ca elastic scattering observables reasonably well to about 60 degrees in the center-of-mass frame, which coincides roughly with the validity of the NNLO chiral interaction used to calculate both the nucleon-nucleon amplitudes and the one-body scalar and spin nuclear densities.

Ab initio calculations↗
NASA NTRS1997

Wavefront Analysis of Adaptive Telescope

The motivation for this work came from a NASA Headquarters interest in investigating design concepts for a large space telescope employing active optics technology. The development of telescope optical requirements and potential optical design configurations is reported.

Hadaway, James B.↗
NASA NTRS2015

Nuclear Cross Sections for Space Radiation Applications

The eikonal, partial wave (PW) Lippmann-Schwinger, and three-dimensional Lippmann-Schwinger (LS3D) methods are compared for nuclear reactions that are relevant for space radiation applications. Numerical convergence of the eikonal method is readily achieved when exact formulas of the optical potential are used for light nuclei (A = 16) and the momentum-space optical potential is used for heavier nuclei. The PW solution method is known to be numerically unstable for systems that require a large number of partial waves, and, as a result, the LS3D method is employed. The effect of relativistic kinematics is studied with the PW and LS3D methods and is compared to eikonal results. It is recommended that the LS3D method be used for high energy nucleon-nucleus reactions and nucleus-nucleus reactions at all energies because of its rapid numerical convergence and stability for both non-relativistic and relativistic kinematics.

Werneth, C. M.↗
NASA NTRS2014

Elastic Differential Cross Sections

The eikonal, partial wave (PW) Lippmann-Schwinger, and three-dimensional Lippmann-Schwinger (LS3D) methods are compared for nuclear reactions that are relevant for space radiation applications. Numerical convergence of the eikonal method is readily achieved when exact formulas of the optical potential are used for light nuclei (A less than or equal to 16) and the momentum-space optical potential is used for heavier nuclei. The PW solution method is known to be numerically unstable for systems that require a large number of partial waves, and, as a result, the LS3D method is employed. The effect of relativistic kinematics is studied with the PW and LS3D methods and is compared to eikonal results. It is recommended that the LS3D method be used for high energy nucleon- nucleus reactions and nucleus-nucleus reactions at all energies because of its rapid numerical convergence and stability.

Werneth, Charles M.↗
DOE OSTI2024

coh3

CoH3 (CoH ver.3) is an optical model, exciton pre-equilibrium, and Hauser-Feshbach statistical model code, which calculates nuclear reaction cross sections for medium to heavy targets in the keV to MeV energy region. This program is written in standard C++, divided into approximately 200 source and header files. CoH solves the Schroedinger equation for optical potentials defined in the code, and calculates differential elastic scattering, reaction, and total cross sections, for neutron, proton, deuteron, triton, 3He, and alpha-particle. Deformed optical potentials are solved with the coupled-channels method, in which the ground state rotational band members, or vibrational phonon states are coupled. The optical model gives particle transmission coefficients that are fed into the statistical model calculations. CoH includes the pre-equilibrium model (exciton model), the direct/semidirect capture model, and the multi-stage Hauser-Feshbach statistical decay with width fluctuation correction based on the Gaussian orthogonal ensemble. For weakly coupled levels, the DWBA (distorted wave Born approximation) method is used to calculate the direct inelastic scattering process to the excited states.

Kawano, Toshihiko↗
DOE OSTI2025

Systematic study of the validity of the eikonal model including uncertainties

Nuclear reactions at intermediate beam energies are often interpreted using the eikonal model. In the analysis of complex reaction probes, where few-body reaction methods are needed, the eikonal method may be used as an efficient way for describing the fragment-target reaction process. In this work, we perform a systematic study to test the validity of the eikonal approximation for nucleon-nucleus reactions. We also quantify uncertainties due to the nucleon optical potential on reaction observables. We inspect the validity of the eikonal model and its semiclassical correction by comparing it to exact solutions (obtained from solving the optical-model equation with a finite-differences method) for a wide range of reactions. We also study the effect of relativistic corrections, both kinematic and dynamic, by effectively incorporating the relativistic effects at intermediate energies. The uncertainties from a Bayesian global optical potential (KDUQ) are propagated to the observables of interest. Our study includes neutron and proton reactions on 27 Al , 40 Ca , 90 Zr , and 208 Pb , for a wide range of energies 𝐸 lab = 0–400 MeV. We calculate neutron-total cross sections (elastic and reactions) as well as proton-absorption cross sections as a function of beam energy, using the eikonal model, the eikonal model with a semiclassical correction, and the exact solution. Here, we also compute angular distributions for the methods above. Our results show that for the proton-absorption cross section, the eikonal model can be used down to around 60 MeV and the semiclassical correction extends its use to 30 MeV. However, the validity of the eikonal model for the neutron-total cross section only goes down to ≈120 MeV, a range extended to ≈ 50 MeV when using the semiclassical correction. We find the semiclassical correction to the eikonal model to be less effective in describing the angular distributions. The 1⁢𝜎 uncertainty intervals on the observables we studied is less than 5% for most of the energies considered, but increases rapidly for higher energies, namely energies outside the range of KDUQ (𝐸 lab > 200MeV).

Cluster models↗
NASA NTRS1996

Microscopic optical model calculations of 4He, 12C-nucleus absorption cross sections

Calculations of absorption cross sections using a microscopic first-order optical potential for heavy-ion scattering are compared with experiments. In-medium nucleon-nucleon (NN) cross sections were used to calculate the two-body scattering amplitude. A medium-modified first-order optical potential was obtained for heavy-ion scattering using the in-medium two-body scattering amplitude. A partial wave expansion of the Lippmann-Schwinger equation in momentum space was used to calculate the absorption cross sections for various systems. The results are presented for the absorption cross sections for 4He-nucleus and 12C-nucleus scattering systems and are compared with the experimental values in the energy range 18-83A MeV. The use of the in-medium NN cross sections is found to result in significant reduction of the free space absorption cross sections in agreement with experiment.

NASA Discipline Radiation Health↗
DOE OSTI2025

Uncertainty quantification of optical models in fission fragment deexcitation

Here, we take the first step towards incorporating compound nuclear observables at astrophysically relevant energies into the experimental evidence used to constrain optical models, by propagating the uncertainty in two global optical potentials, one phenomenological and one microscopic, to correlated fission observables using the Monte Carlo Hauser-Feshbach formalism. We compare to a wide range of historic and recent experimental fission measurements, and discuss in detail regions of disagreement. We find that the parametric optical model uncertainty in neutron-fragment correlated observables involving neutron energy is significant. On the other hand, we observe that other experimental features, particularly neutron-fragment correlations near the 132 Sn shell closure and the high energy component of neutron spectra, are unlikely to be explained by the optical potential, and will require further experimental and theoretical effort to explain.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2004

Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials

In the course of a search for new thermostable acentric nonlinear optical crystalline materials, several heterocyclic imine derivatives were designed, with the general structure D-pi-A(D'). Introduction of a donor amino group (D') into the acceptor moiety was expected to bring H-bonds into their crystal structures, and so to elevate their melting points and assist in an acentric molecular packing. Six heterocycle-containing compounds of this type were prepared, single crystals were grown for five of them, and these crystals were characterized by X-ray analysis. A significant melting temperature elevation was found for all of the synthesized compounds. Three of the compounds were also found to crystallize in acentric space groups. One of the acentric compounds is built as a three-dimensional H-bonded molecular network. In the other two compounds, with very similar molecular structure, the molecules form one-dimensional H-bonded head-to-head associates (chains). These chains are parallel in two different crystallographic directions and form very unusual interpenetrating chain patterns in an acentric crystal. Two of the compounds crystallized with centrosymmetric molecular packing.

Nesterov, Volodymyr V.↗
DOE OSTI2025

Control-Affine Schrödinger Bridge and Generalized Bohm Potential

From a stochastic control perspective, the Schrödinger bridge is a density-valued continuous curve parameterized by time that connects a given pair of initial and terminal probability densities via minimum effort controlled Brownian motion. The control-affine Schrödinger bridge extends this idea to a generic control-affine Itô diffusion, possibly with an additive state cost. Here, in this letter, we recast the necessary conditions of optimality for the control-affine Schrödinger bridge problem as a two point boundary value problem for a quantum mechanical Schrödinger PDE with complex potential. This complex-valued potential is a generalization of the real-valued Bohm potential in quantum mechanics. Our derived potential is akin to the optical potential in nuclear physics where the real part of the potential encodes elastic scattering (transmission of wave function), and the imaginary part encodes inelastic scattering (absorption of wave function). The key takeaway is that the process noise that drives the evolution of probability densities induces an absorbing medium in the evolution of wave function. These results make new connections between control theory and non-equilibrium statistical mechanics through the lens of quantum mechanics.

Markov processes↗
DOE OSTI2026

Astigmatism-free 3D optical tweezer control for rapid atom rearrangement

Reconfigurable neutral-atom arrays are a promising platform for quantum computing, quantum simulation, and quantum metrology, but atom transport using frequency-chirped acousto-optic deflectors (AODs) is limited by chirp-induced acoustic lensing and trajectory distortion. We address these limitations using a three-dimensional acousto-optic deflector lens (3D-AODL), a design predicted to reduce long-range transport times by more than a factor of two. We further introduce fading-Shepard waveforms that circumvent finite AOD bandwidth, enabling sustained axial displacement. We demonstrate unrestricted three-dimensional optical-tweezer motion over a 200 μm × 200 μm × 136 μm volume with velocities exceeding 4.2 m/s. Arbitrary three-dimensional control of optical-tweezer trajectories enables rapid atom rearrangement and dynamical engineering of optical potentials in tweezer arrays and optical lattices. This capability advances quantum control and atom manipulation in neutral-atom quantum processors by enabling faster rearrangement, higher clock rates, and scalable sorting in complex geometries.

Lu, Yue-Hui [University of California, Berkeley, C↗
NASA NTRS2004

Electron-Hydrogen Elastic Scattering

Scattering by single-electron systems is always of interest because the wave function of the target is known exactly. Various approximations have been employed to take into account distortion produced in the target. Among them are the method of polarized orbitals and the close coupling approximation. Recently, e-H and e-He+ S-wave scattering in the elastic region has been studied using the Feshbach projection operator formalism. In this approach, the usual Hartree-Fock and exchange potentials are augmented by an optical potential and the resulting phase shifts have rigorous lower bounds. Now this method is being applied to the e-H P-wave scattering in the elastic region. The number of terms in the Hylleraas-type wave function for the 1,3 P phase shifts is 84 and the resulting phase shifts (preliminary) are given. The results have been given up to five digits because to that accuracy they are rigorous lower bounds. They are in general agreement with the variational (VAR) results of Armstead, and those obtained from the intermediate energy R-matrix method (RM) of Scholz et al., and the finite element method (FEM) of Botero and Shertzer. The later two methods do not provide any bounds on phase shifts.

Bhatia, A. K.↗
NASA NTRS2012

P-Wave Electron-Hydrogen Scattering

A variational wave function incorporating short range correlations via Hylleraas type functions plus long-range polarization terms of the polarized orbital type but with smooth cut-off factors has been used to calculate P-wave phase shifts for electron-hydrogen scattering. This approach gives the direct r(exp -4) potential and a non-local optical potential which is definite. The resulting phase shifts have rigorous lower bounds and the convergence is much faster than those obtained without the modification of the target function. Final results will be presented at the conference.

Bhtia, Anand↗
DOE OSTI2026

Ab initio symmetry-adapted approaches to nuclear reactions

In this review, we discuss recent applications of the ab initio symmetry-adapted no-core shell-model (SA-NCSM) theory for study and prediction of structure and reactions of stable and unstable nuclei from light to medium mass range. We explore structure properties of neutron-rich He, Li, and Mg isotopes, with a focus on nuclear collectivity, clustering, and spectroscopic factors, as well as multi-particle excitations of utmost significance in the proximity of the drip lines. In addition, we present extensions of the SA-NCSM with continuum for determining the microscopic structure of reaction fragments, which enables calculations of reaction cross sections for targets from the lightest He to 40Ca, rooted in first principles. We illustrate this for neutron and proton elastic scattering, deuteron and alpha capture reactions, and alpha knock-out reactions. Furthermore, we discuss microscopic optical potentials with uncertainty quantification, a critical ingredient in many reaction models. As a result, we also discuss the impact of alpha clustering on reactions of significance to nuclear astrophysics, as well as on beta decays and beyond-the-standard-model physics.

Ab initio approaches to nuclear reactions↗
NASA NTRS1994

Si 1-X Ge X /Si Heterojunction Internal Photoemission Long Wavelength Infrared Detector

Long wavelength Si 1-X Ge X /Si heterojunction internal photoemission (HIP) infrared detectors have been successfully demonstrated utilizing the growth of degenerately boron doped Si 1-X Ge X layers on Si. Recently, Si 0.7 GE 0.3 /SI HIP detectors with either a Si 1-X Ge X single layer or a Si 1-X Ge X /Si multilayer have been demonstrated with cutoff wavelengths out to 23 µm. Near-ideal thermionic emission dark current characteristics were measured and the electrical potential barriers were determined by the Richardson plot. A photoresponse model, similar to the modified Fowler Equation has been developed for the Si 1-X Ge X /Si heterojunction internal photoemission infrared detector at wavelengths corresponding to photon energies less than the Fermi energy. The optical potential barriers, the corresponding cutoff wavelengths, and the emission coefficients, C 1 , for the HIP detectors have been determined from the measured spectral responses using the photoresponse model. Similar optical and thermal potential barriers were obtained.

infrared↗