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DOE OSTI2024

Simulation of open quantum systems via low-depth convex unitary evolutions

Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because they typically require ancilla qubits and extensive controlled sequences. In this work, we propose a hybrid quantum-classical approach for simulating a class of open system dynamics called random-unitary channels. These channels naturally decompose into a series of convex unitary evolutions, which can then be efficiently sampled and run as independent circuits. The method does not require deep ancilla frameworks and thus can be implemented with lower noise costs. We implement simulations of open quantum systems up to dozens of qubits and with large channel ranks. Published by the American Physical Society 2024

Peetz, Joseph (ORCID:0000000274458028)↗

NASA NTRS2020

A Physical Model of Moulin Evolution on the Greenland Ice Sheet

Nearly all proglacial water discharge from the Greenland Ice Sheet is routed englacially via moulins. Identification of these moulins in high-resolution imagery is a frequent topic of study, but the processes controlling how and where moulins form remain poorly understood. Because moulins may reasonably compose approximately 10-15% of the englacial-subglacial hydrologic system, the evolution and shape of moulins can alter both the timing and variability of meltwater inputs to the bed. This evolution can impact both the form of the subglacial hydrologic system and associated response of ice motion. Here, we develop a physical model of moulin formation and evolution to constrain the role of englacial processes in shaping the form and structure of the subglacial hydrologic system. Within this model, moulin geometry is controlled by a balance of viscous and elastic deformation and is dependent on that deformation, refreezing, and the dissipation of turbulent and sensible heat energy. All of which are dependent on the characteristics of the available supraglacial meltwater and the surrounding ice. We find moulin geometry is responsive to changes in these parameters over the course of hours to days, indicating that diurnal and multi-day variations in melt can substantially alter the geometry of a moulin and, consequently, the pressure-discharge relationship at the bed of the ice sheet. Therefore, there is no single moulin shape that can appropriately represent englacial storage across the Greenland Ice Sheet.

Andrews, Lauren C.↗

NASA NTRS1992

Examination of the physical, electrical, and microwave evolution of sea water into young ice

Knowledge of the relationships between ice thickness, its temperature profile, the distribution of salinity, the dielectric property profile, and roughness of the air-ice interface is important to the understanding of the backscatter response of new and young sea ice. Backscatter, physical property, and electrical property measurements made in the laboratory during the first 120 h of growth aid in describing the evolution of first-year ice, in this case open water to gray ice (14.5 cm thick). Results on the evolution response for the case when the ambient air temperature is about -15 C are given, providing insight into the effects of upper ice sheet temperatures, the accompanying dielectric constant response, and the collection of brine and free water at the air-ice interface on the backscatter response.

Onstott, Robert G.↗

DOE OSTI2026

Dynamic Evolution of Mass and Physical Properties of Atmospheric Organic Aerosol under Solar Irradiance

Organic aerosol (OA) particles constitute a substantial fraction of sub-micron particulate mass in the atmosphere and play a critical role in climate system. OA undergoes dynamic aging processes in the atmosphere, with photolytic aging induced by ultraviolet solar irradiance being an important yet poorly characterized mechanism. Knowledge gaps persist regarding the role of volatility transformations during photolytic aging on the OA mass decay kinetics and the evolution of climate-relevant properties, such as hygroscopicity, hindering the model evaluation of OA spatiotemporal distributions and atmospheric budgets. In this study, we conduct isothermal photolytic aging experiments on both laboratory-generated secondary organic aerosols and ambient-collected particles from urban Atlanta, utilizing a high-sensitivity Quartz Crystal Microbalance. Our results reveal that photolytic aging reduces 40–66% of the low-volatility OA mass with lifetimes ranging from 8 to 200 hours under solar irradiance, and 44–92% of the photolytic mass loss is through slow evaporation of semi- or intermediate-volatile products, kinetically limited by their volatility. We observe up to ±50% changes in OA hygroscopicity with the transformation of fresh OA to photo-recalcitrant low-volatility products, associated with changes in oxygen-to-carbon ratio and molecular weight. A kinetic model incorporating photolytic volatility transformation provides a cohesive explanation for the observed photolysis-induced changes in mass, volatility, and hygroscopicity. Our results can help constrain model representation of the dynamic evolutions of mass and climate-relevant properties during photolytic aging processes of the ambient OA, improving our understanding of OA atmospheric behavior and climate impact.

Bai, Bin↗

NASA NTRS1982

The intercrater plains of Mercury and the Moon: Their nature, origin and role in terrestrial planet evolution. Remote sensing and physical data and the Moon

Imagery data from Mariner 10 and Lunar Orbiter IV form the major base of observations analyzed. But a variety of other information aids in constraining the composition and structure of the Moon and Mercury, and in particular, provides input to the problem of the nature and origin of their intercrater plains. This information for Mercury is remotely sensed from Earth or from the Mariner 10 spacecraft. Lunar data includes, of course, ground truth information from the Apollo landing sites. Since neither intercrater region was sampled, lunar and Mercurian data are similar in type and limitations. Constraints on surface and interior composition and structure are reviewed.

Leake, M. A.↗

NASA NTRS2022

Chapter 2.6: Physical Chemistry and Thermal Evolution of Ices at Ganymede

Ganymede’s surface is composed mostly of water ice and other icy materials in addition to minor non-ice components. The formation and evolution of Ganymede’s landforms highly depend on the nature of the icy materials as they present various thermal and rheological behaviors. This chapter reviews the currently known thermodynamic parameters of the ice phases and hydrates reported on Ganymede, which seem to affect the evolution of the surface, using mainly results from the Voyager and Galileo missions

C Ahrens↗

NASA NTRS1991

Numerical simulations of flares on M dwarf stars. I - Hydrodynamics and coronal X-ray emission

Flare-loop models are utilized to simulate the time evolution and physical characteristics of stellar X-ray flares by varying the values of flare-energy input and loop parameters. The hydrodynamic evolution is studied in terms of changes in the parameters of the mass, energy, and momentum equations within an area bounded by the chromosphere and the corona. The zone supports a magnetically confined loop for which processes are described including the expansion of heated coronal gas, chromospheric evaporation, and plasma compression at loop footpoints. The intensities, time profiles, and average coronal temperatures of X-ray flares are derived from the simulations and compared to observational evidence. Because the amount of evaporated material does not vary linearly with flare-energy input, large loops are required to produce the energy measured from stellar flares.

Cheng, Chung-Chieh↗

NASA NTRS1993

Relating space radiation environments to risk estimates

A number of considerations must go into the process of determining the risk of deleterious effects of space radiation to travelers. Among them are (1) determination of the components of the radiation environment (particle species, fluxes and energy spectra) which will encounter, (2) determination of the effects of shielding provided by the spacecraft and the bodies of the travelers which modify the incident particle spectra and mix of particles, and (3) determination of relevant biological effects of the radiation in the organs of interest. The latter can then lead to an estimation of risk from a given space scenario. Clearly, the process spans many scientific disciplines from solar and cosmic ray physics to radiation transport theeory to the multistage problem of the induction by radiation of initial lesions in living material and their evolution via physical, chemical, and biological processes at the molecular, cellular, and tissue levels to produce the end point of importance.

Curtis, Stanley B.↗

NASA NTRS1986

Comptonization in supercritical winds. I - Spectral evolution. II - Dynamics and observational diagnostics

The physics governing spectral evolution in steady, fully ionized, radiatively driven winds from compact objects is examined. A largely analytic theory is developed to describe the effects of diffusion, adiabatic cooling, and repeated Compton scattering on the emergent radiation spectrum. Analytic forms for the wind temperature profile are derived, and spectral solutions obtained by considering a modified, time-independent Kompaneets equation are presented subject to a variety of initial conditions. A probabilistic formalism which describes the effect of diffusion photons travelling beyond the trapping radius is developed to allow the calculation of spectra observed at infinity. The second paper focuses on the dynamics of supercritical winds and on observational diagnostics which may be used to constrain model parameters in the contexts of specific astrophysical systems, including X-ray burst sources and mass-losing quasars.

Becker, Peter A.↗

NASA NTRS1994

Time-dependent evolution of cosmic-ray-modified shock structure: Transition to steady state

Steady state solutions to the two-fluid equations of cosmic-ray-modified shock structure were investigated first by Drury and Volk (1981). Their analysis revealed, among other properties, that there exist regions of upstream parameter space where the equations possess three different downstream solutions for a given upstream state. In this paper we investigate whether or not all these solutions can occur as time-asymptotic states in a physically realistic evolution. To do this, we investigate the time-dependent evolution of the two-fluid cosmic-ray equations in going from a specified initial condition to a steady state. Our results indicate that the time-asymptotic solution is strictly single-valued, and it undergoes a transition from weakly to strongly cosmic-ray-modified at a critical value of the upstream cosmic ray energy density. The expansion of supernova remnant shocks is considered as an example, and it is shown that the strong to weak transition is in fact more likely. The third intermediate solution is shown to influence the time-dependent evolution of the shock, but it is not found to be a stable time-asymptotic state. Timescales for convergence to these states and their implications for the efficiency of shock acceleration are considered. We also investigate the effects of a recently introduced model for the injection of seed particles into the shock accelerated cosmic-ray population. The injection is found to result in a more strongly cosmic-ray-dominated shock, which supports our conclusion that for most classes of intermediate and strong cosmic-ray-modified shocks, the downstream cosmic-ray pressure component is at least as large as the thermal gas pressure, independent of the upstream state. As a result, cosmic rays almost always play a significant role in determining the shock structure and dissipation and they cannot be regarded as test particles.

Donohue, D. J.↗

NASA NTRS1975

On the masses and relative velocities of galaxies

A critical analysis of the observations made by Einasto et al. and Ostriker et al. (1974) regarding the masses of galaxies is presented. The criticism centers on the assumption of gravitational binding in calculating the masses. Suppositions regarding halos surrounding galaxies; noncircular motions in outer spirals; physical bindings between our Galaxy and the six dwarf elliptical galaxies near it; and the masses of double galaxies and clusters are analyzed, and it is concluded that there is no independent observational evidence that the masses in these cases are very much larger than those derived in the investigation of single galaxies. Relative and random velocities within and between galaxies are discussed, and no indication is found for equipartition of energy between systems of different masses or for alteration of velocity dispersion by the formation and evolution of physical groupings, except for the rich clusters.

Burbidge, G.↗

NASA NTRS1994

Pinatubo Aerosol Evolution: Using Composite Data Sets to Build the Global- to Micro-Scale Picture and Assess Consistency of Different Measurements

This paper brings together experimental evidence required to build realistic models of the global evolution of physical, chemical, and optical properties of the aerosol resulting from the 1991 Pinatubo volcanic eruption. Such models are needed to compute the effects of the aerosol on atmospheric chemistry, dynamics, radiation, and temperature. Whereas there is now a large and growing body of post-Pinatubo measurements by a variety of techniques, some results are in conflict, and a self-consistent, unified picture is needed, along with an assessment of remaining uncertainties. This paper examines data from photometers, radiometers, impactors, optical counters/sizers, and lidars operated on the ground, aircraft, balloons, and spacecraft. Example data sources include: - Tracking sunphotometers and lidars at Mauna Loa Observatory (MLO) and on the DC-8 - Particle spectrometers and wire impactors on the ER-2 and DC-8 - Dustsondes (particle counters/sizers on balloons) - SAGE II, SAM II, AVHRR, CLAES, and ISAMS sensors on a variety of satellites. We assess the mutual consistency of these disparate data sets and recommend 'consensus" properties and uncertainties in the process of developing a composite data set. Recommended properties include the spatial and temporal evolution of particle chemical composition, shape, wavelength and temperature-dependent refractive index, size distribution, and optical depth spectra. Supporting references are cited and representative data shown.

Russell, P. B.↗

NASA NTRS1994

Pinatubo Aerosol Evolution: Using Composite Data Sets to Build the Global- To Micro-Scale Picture and Assess Consistency of Different Measurements

This paper brings together experimental evidence required to build realistic models of the global evolution of physical, chemical, and optical properties of the aerosol resulting from the 1991 Pinatubo volcanic eruption. Such models are needed to compute the effects of the aerosol on atmospheric chemistry, dynamics, radiation, and temperature. Whereas there is now a large and crowing body of post-Pinatubo measurements by a variety of techniques, some results are in conflict, and a self-consistent, unified picture is needed, along with an assessment of remaining uncertainties. This paper examines, data from photometers, radiometers, impactors, optical counter/sizers, and lidars operated on the ground, aircraft, balloons, and spacecraft. Example data sources include: (1) Tracking sunphotometers and lidars at Mauna Loa Observatory (MLO) and on the DC-8. (2) Particle spectrometers and wire impactors on the ER-2 and DC-8. (3) Dustsondes (particle counter/sizers on balloons). and (3) SAGE II, SAM II, AVHRR, CLAES, and ISAMS sensors on a variety of satellites. We assess the mutual consistency of these disparate data sets and recommend 'consensus' properties and uncertainties in the process of developing a composite data set. Recommended properties include the spatial and temporal evolution of particle chemical composition, shape, wavelength-and temperature-dependent refractive index, size distribution, and optical depth spectra. Supporting references are cited and representative data shown.

Russell, Philip B.↗

NASA NTRS2019

A Physical Model of Moulin Formation and Evolution

Nearly all proglacial water discharge from the present-day Greenland Ice Sheet is routed englacially via moulins. Identification of these moulins in high-resolution imagery is a frequent topic of study, but the processes controlling how and where moulins form, including on past ice sheets for which remote-sensing data are not available, remain poorly understood. Because moulins may reasonably compose approximately 10-15% of the englacial-subglacial hydrologic system, the evolution and shape of moulins can alter the timing of meltwater inputs to the bed. This evolution can impact both the form of the subglacial hydrologic system and the structure of associated geomorphological structures. Here, we develop a physical model of moulin formation and evolution to constrain the role of englacial processes in controlling the form and structure of the subglacial hydrologic system. Ice deformation within and around a moulin is both viscous and elastic, with the rate of turbulent and heat dissipation from water circulation in the moulin controlling both moulin wall melting and warming of the surrounding ice. We find moulin geometry is responsive to changes in these parameters over hours to days, indicating that diurnal and multi-day variations in surface melt can substantially alter the geometry of a moulin and the pressure-discharge relationship at the bed of the ice sheet. These results should be considered carefully when determining surface water inputs for subglacial hydrologic models. In the future, a parameter space study of these results will be combined with an analytic model to create a predictive, stochastic model of moulin and crevasse locations. This future model will be applicable to constraining the potential for surface-to-bed connections in regions where the exact ice-sheet surface morphology is not known, including ice sheets under future warming atmospheric conditions, and paleo ice sheets, where moulins created modern landforms.

Andrews, Lauren C.↗

DOE OSTI2025

Dust supply to close binary systems

Binary systems can be born surrounded by circumbinary discs. The gaseous disc around either of the two stellar companions can have its life extended by the supply of mass arriving from the circumbinary disc. The objective of this study is to investigate the gravitational interactions exerted by a compact and eccentric binary system on the circumbinary and circumprimary discs, and the resulting transport of gas and solids between the disc components. We assume that the gas in the system behaves as a fluid, and we model its evolution by means of high-resolution hydrodynamical simulations. Dust grains are modelled as Lagrangian particles that interact with the gas and the stars. Our models indicate that significant fluxes of gas and dust proceed from the circumbinary disc towards the circumprimary disc. For the applied system parameters, grains of certain sizes are segregated outside the tidal gap generated by the stars. Consequently, the size distribution of the transported dust is not continuous, but presents a gap in the millimetre size range. In close binaries, the lifetime of an isolated circumprimary disc is found to be short, ~10 5 years, because of its low mass. However, because of the influx of gas from beyond the tidal gap, the disc around the primary star can survive much longer, ~10 6 years, as long as gas accretion from the circumbinary disc continues. The supply of solids and the extended lifetime of a circumbinary disc also aids in the possible formation of giant planets. Compared to close binary systems without a circumbinary disc, we expect a higher frequency of singleplanet or multiple-planet systems. Additionally, a planetesimal or debris belt can form in the proximity of the truncation radius of the circumprimary disc and/or around the location of the exterior edge of the tidal gap.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

The formation and structure of iron-dominated planetesimals

Metal-rich asteroids and iron meteorites are considered core remnants of differentiated planetesimals and/or products of oxygen-depleted accretion. Investigating the origins of iron-rich planetesimals could provide key insights into planet formation mechanisms. Using differentiation models, we evaluate the interior structure and composition of representative-sized planetesimals (~200 km diameter), while varying oxygen fugacity and initial bulk meteoritic composition. Under the oxygen-poor conditions that likely existed early in the inner regions of the Solar System and other protoplanetary disks, core fractions remain relatively consistent across a range of bulk compositions (CI, H, EH, and CBa). Some of these cores could incorporate significant amounts of silicon (10–30 weight%) and explain the metal fractions of Fe-rich bodies in the absence of mantle stripping. Conversely, planetesimals forming under more oxidizing conditions, such as beyond snow lines, could exhibit smaller cores, enriched in carbon, sulfur (>1 wt%), and oxides. Sulfur-rich cores, like those formed from EH and H bulk compositions, could remain partly molten, sustain dynamos, and even drive sulfur-rich volcanism. Additionally, bodies with high carbon contents, such as CI compositions, can form graphitic outer layers. These variations highlight the importance of initial formation conditions in shaping planetesimal structures. Future missions, such as NASA’s Psyche mission, offer an opportunity to measure the relative abundances of key elements (Fe, Ni, Si, and S) necessary to distinguish among formation scenarios and structure models for Fe-rich and reduced planetesimals.

meteorites↗

DOE OSTI2026

A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels

Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini–Kossakowski–Sudarshan–Lindblad equation uniquely characterizes Markovian completely positive and trace-preserving (CPTP) evolution, many physical platforms display non-Markovian features such as algebraic relaxation and coherence backflow. Fractional calculus provides a natural way to model such long-memory behavior through power-law temporal kernels introduced by fractional time derivatives. Here, we develop a unified framework that embeds fractional master equations within the broader hierarchy of open-system formalisms. The fractional equation forms a structured subclass of memory-kernel models, reduces to the Lindblad form at unit order, and, through Bochner–Phillips subordination, admits a CPTP representation as an average over Lindblad semigroups. Its resolvent structure further connects fractional dynamics to established non-Markovian approaches, including Nakajima–Zwanzig kernels and hierarchical equations of motion, providing a compact surrogate for long-memory effects. This formulation positions fractional calculus as a rigorous and practical language for modeling non-Markovian quantum dynamics in chemical physics and physical chemistry, providing a CPTP-preserving, computationally efficient surrogate for structured condensed-phase environments where long-time memory and dissipation play a central role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Exogeological inferences from white dwarf pollutants: the impact of stellar physics

Many white dwarfs have accreted material from their own planetary systems. These objects can be used to infer the composition of exoplanetary material and identify evidence for key geological processes. However, the white dwarf atmospheric physics distorts the inferred material composition away from the true composition, mainly through differential atomic diffusion of the accreted metals. Correcting for this effect is essential, but is dependent on various physical assumptions associated with the white dwarf itself. We first focus on the effect of assumptions related to convective overshoot and thermohaline mixing on the atomic diffusion time-scales. For white dwarfs with H-dominated atmospheres between 12000 K and 18000 K⁠, we find that including a complete treatment of convective overshoot decreases the inferred Fe and O abundances in accreted material. For these white dwarfs, we also find that including thermohaline mixing decreases Fe and O abundances. For He-dominated systems, the effect of convective overshoot is comparatively minor. We then explore the overall effect of other physical assumptions by comparing publicly available grids of diffusion time-scales. We find that the choice of model grid can have a large impact for white dwarfs with He-dominated atmospheres, notably on the inferred core to mantle ratio of accreted material. We identify several systems for which the geological interpretation is robust against these systematics. We also present a ‘discrepancy metric’ which can be used to estimate the potential impact of changing the stellar physics without requiring detailed modelling.

Astronomy and AstroPhysics↗