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DOE OSTI2025

Microbial community dynamics in the soil-root continuum are linked with plant species turnover during secondary succession

Grazing exclusion and land abandonment are commonly adopted to restore degraded ecosystems in semiarid and arid regions worldwide. However, the temporal variation in the soil- versus root-associated microbiome over plant species turnover during secondary succession has rarely been quantified. Using the chronosequence restored from fenced grassland and abandoned farmlands on the Loess Plateau of China, we characterized the dynamics of the soil- and root-associated microbiome of host plant with different dominance statuses during secondary succession from 0 to 40 years. Our results revealed that the root microhabitat, the host plant and their interactions were the main contributors to the bacterial community shift (R 2 = 15.5%, 8.1%, and 22.3%, respectively), and plant interspecies replacement had a greater effect on the shift in the root-associated microbial community than intraspecies replacement did during succession. The root-associated bacterial community of pioneer plants was particularly responsive to succession, especially the endosphere community. Endosphere microbial diversity was positively correlated with host plant coverage change, and the diversity and abundance of taxon recruitment into the endosphere of pioneer plants from the surrounding environment decreased as succession progressed. The community assembly processes also indicated that the endosphere microbiota are strongly selected in younger host plants, whereas stochastic processes dominate in aged host plants. Our study provides evidence of the unique response of the root-associated microbiome to the replacement of plant species during secondary succession, and the function of endosphere microbes should be considered when studying plant–microbe feedback.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories

Here, the accurate mapping of potential energy surfaces (PESs) is crucial to our understanding of the numerous physical and chemical processes mediated by atomic rearrangements, such as conformational changes and chemical reactions, and the thermodynamic and kinetic feasibility of these processes. Stochastic electronic structure theories, e.g., Quantum Monte Carlo (QMC) methods, enable highly accurate total energy calculations that in principle can be used to construct the PES. However, their stochastic nature poses a challenge to the computation and use of forces and Hessians, which are typically required in algorithms for minimum-energy pathway (MEP) and transition state (TS) identification, such as the nudged elastic band (NEB) algorithm and its climbing image formulation. Here, we present strategies that utilize the surrogate Hessian line-search method, previously developed for QMC structural optimization, to efficiently identify MEP and TS structures without requiring force calculations at the level of the stochastic electronic structure theory. By modifying the surrogate Hessian algorithm to operate in path-orthogonal subspaces and at saddle points, we show that it is possible to identify MEPs and TSs by using a force-free QMC approach. We demonstrate these strategies via two examples, the inversion of the ammonia (NH 3 ) molecule and the nucleophilic substitution (S N 2) reaction F – + CH 3 F → FCH 3 + F – . We validate our results using Density Functional Theory (DFT)- and Coupled Cluster (CCSD, CCSD(T))-based NEB calculations. We then introduce a hybrid DFT-QMC approach to compute thermodynamic and kinetic quantities, free energy differences, rate constants, and equilibrium constants that incorporates stochastically optimized structures and their energies, and show that this scheme improves upon DFT accuracy. Our methods generalize straightforwardly to other systems and other high-accuracy theories that similarly face challenges computing energy gradients, paving the way for highly accurate PES mapping, transition state determination, and thermodynamic and kinetic calculations at significantly reduced computational expense.

Iyer, Gopal R.↗

NASA NTRS2007

A Black-Scholes Approach to Satisfying the Demand in a Failure-Prone Manufacturing System

The goal of this paper is to use a financial model and a hedging strategy in a systems application. In particular, the classical Black-Scholes model, which was developed in 1973 to find the fair price of a financial contract, is adapted to satisfy an uncertain demand in a manufacturing system when one of two production machines is unreliable. This financial model together with a hedging strategy are used to develop a closed formula for the production strategies of each machine. The strategy guarantees that the uncertain demand will be met in probability at the final time of the production process. It is assumed that the production efficiency of the unreliable machine can be modeled as a continuous-time stochastic process. Two simple examples illustrate the result.

Chavez-Fuentes, Jorge R.↗

DOE OSTI2024

Determining the N -Representability of a Reduced Density Matrix via Unitary Evolution and Stochastic Sampling

The N-representability problem consists in determining whether, for a given p-body matrix, there exists at least one N-body density matrix from which the p-body matrix can be obtained by contraction, that is, if the given matrix is a p-body reduced density matrix (p-RDM). The knowledge of all necessary and sufficient conditions for a p-body matrix to be N-representable allows the constrained minimization of a many-body Hamiltonian expectation value with respect to the p-body density matrix and, thus, the determination of its exact ground state. However, the number of constraints that complete the N-representability conditions grows exponentially with system size, and hence, the procedure quickly becomes intractable for practical applications. This work introduces a hybrid quantum-stochastic algorithm to effectively replace the N-representability conditions. The algorithm consists of applying to an initial N-body density matrix a sequence of unitary evolution operators constructed from a stochastic process that successively approaches the reduced state of the density matrix on a p-body subsystem, represented by a p-RDM, to a target p-body matrix, potentially a p-RDM. The generators of the evolution operators follow the well-known adaptive derivative-assembled pseudo-Trotter method (ADAPT), while the stochastic component is implemented by using a simulated annealing process. The resulting algorithm is independent of any underlying Hamiltonian, and it can be used to decide whether a given p-body matrix is N-representable, establishing a criterion to determine its quality and correcting it. We apply the proposed hybrid ADAPT algorithm to alleged reduced density matrices from a quantum chemistry electronic Hamiltonian, from the reduced Bardeen–Cooper–Schrieffer model with constant pairing, and from the Heisenberg XXZ spin model. In all cases, the proposed method behaves as expected for 1-RDMs and 2-RDMs, evolving the initial matrices toward different targets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1967

Optimal Discounted Stochastic Control for Diffusion Processes

Optimal cost discounted stochastic control for diffusion processes

Kushner, H. J.↗

NASA NTRS1972

An Adaptive Technique for a Redundant-Sensor Navigation System

An on-line adaptive technique is developed to provide a self-contained redundant-sensor navigation system with a capability to utilize its full potentiality in reliability and performance. The gyro navigation system is modeled as a Gauss-Markov process, with degradation modes defined as changes in characteristics specified by parameters associated with the model. The adaptive system is formulated as a multistage stochastic process: (1) a detection system, (2) an identification system and (3) a compensation system. It is shown that the sufficient statistics for the partially observable process in the detection and identification system is the posterior measure of the state of degradation, conditioned on the measurement history.

Chien, T. T.↗

NASA NTRS1973

Investigation of brightness changes of MZ Cas and TZ Cas in B- and V-light

The results are presented concerning statistical processing of two-color observations of MZ Cas and TZ Cas. Light histograms, dispersion and statistical amplitudes are given. Light variations of the variables are represented by normal stochastic processes. Observational data are tabulated.

Lukatskaya, F. I.↗

NASA NTRS1994

A new stochastic systems approach to structural integrity

This paper develops improved stochastic models for the description of a large variety of fatigue crack growth phenomena that occur in components of considerable importance to the functionality and reliability of complex engineering structures. In essence, the models are based on the McGill-Markov and Closure-Lognormal stochastic processes. Not only do these models have the capability of predicting the statistical dispersion of crack growth rates, they also, by incorporating the concept of crack closure, have the capability of transferring stochastic crack growth properties measured under ideal laboratory conditions to situations of industrial significance, such as those occurring under adverse loading and/or environmental conditions. The primary data required in order to be in a position to estimate the pertinent parameters of these stochastic models are obtained from a statistically significant number of replicate tests. In this paper, both the theory and the experimental technique are illustrated using a Ti-6Al-4V alloy. Finally, important structural integrity, reliability, availability and maintainability concepts are developed and illustrated.

Provan, James W.↗

NASA NTRS1993

Planetary circulations in the presence of transient and self-induced heating

The research program focuses on large-scale circulations and their interaction with the global convective pattern. An 11-year record of global cloud imagery and contemporaneous fields of motion and temperature have been used to investigate organized convection and coherent variability of the tropical circulation operating on intraseasonal time scales. This study provides a detailed portrait of tropical variability associated with the so-called Madden-Julian Oscillation (MJO). It reveals the nature, geographical distribution, and seasonality of discrete convective signal, which is a measure of feedback between the circulation and the convective pattern. That discrete spectral behavior has been evaluated in light of natural variability of the ITCZ associated with climatological convection. A composite signature of the MJO, based on cross-covariance statistics of cloud cover, motion, and temperature, has been constructed to characterize the lifecycle of the disturbance in terms of these properties. The composite behavior has also been used to investigate the influence the MJO exerts on the zonal-mean circulation and the involvement of the MJO in transfers of momentum between the atmosphere and the solid Earth. The aforementioned observational studies have led to the production of two animations. One reveals the convective signal in band-pass filtered OLR and compares it to climatological convection. The other is a 3-dimensional visualization of the composite lifecycle of the MJO. With a clear picture of the MJO in hand, feedback between the circulation and the convective pattern can be diagnosed meaningfully in numerical simulations. This process is being explored in calculations with the linearized primitive equations on the sphere in the presence of realistic stability and shear. The numerical framework represents climatological convection as a space-time stochastic process and wave-induced convection in terms of the vertically-integrated moisture flux convergence. In these calculations, frictional convergence near the equator emerges as a key to feedback between the circulation and the convective pattern. At low latitudes, nearly geostrophic balance in the boundary layer gives way to frictional balance. This shifts the wave-induced convection into phase with the temperature anomaly and allows the attending heating to feed back positively onto the circulation. The calculations successfully reproduce the salient features of the MJO. They are being used to understand the growth and decay phases of the composite lifecycle and the conditions that favor amplification of the MJO.

Salby, Murry L.↗

NASA NTRS2013

A Stochastic Fractional Dynamics Model of Space-time Variability of Rain

Rainfall varies in space and time in a highly irregular manner and is described naturally in terms of a stochastic process. A characteristic feature of rainfall statistics is that they depend strongly on the space-time scales over which rain data are averaged. A spectral model of precipitation has been developed based on a stochastic differential equation of fractional order for the point rain rate, that allows a concise description of the second moment statistics of rain at any prescribed space-time averaging scale. The model is thus capable of providing a unified description of the statistics of both radar and rain gauge data. The underlying dynamical equation can be expressed in terms of space-time derivatives of fractional orders that are adjusted together with other model parameters to fit the data. The form of the resulting spectrum gives the model adequate flexibility to capture the subtle interplay between the spatial and temporal scales of variability of rain but strongly constrains the predicted statistical behavior as a function of the averaging length and times scales. We test the model with radar and gauge data collected contemporaneously at the NASA TRMM ground validation sites located near Melbourne, Florida and in Kwajalein Atoll, Marshall Islands in the tropical Pacific. We estimate the parameters by tuning them to the second moment statistics of radar data. The model predictions are then found to fit the second moment statistics of the gauge data reasonably well without any further adjustment.

TRMM↗

NASA NTRS1986

Noise-driven sidebranching in the boundary-layer model of dendritic solidification

In the context of local models of solidification, it is suggested that the sidebranching which appears to be a characteristic feature of dendritic processes may be generated by selective amplification of noise near the tip and that, under some circumstances, thermal fluctuations may be strong enough to explain the observed effects. This proposal is discussed based on the two-dimensional boundary-layer model with kinetic crystalline anisotropy. Experimental methods to distinguish this stochastic process from a deterministic, dynamical sidebranching mechanism are suggested, including the possibility of space-based experiments.

Pieters, R.↗

NASA NTRS1988

Effect of wet tropospheric path delays on estimation of geodetic baselines in the Gulf of California using the Global Positioning System

Surface Meteorological (SM) and Water Vapor Radiometer (WVR) measurements are used to provide an independent means of calibrating the GPS signal for the wet tropospheric path delay in a study of geodetic baseline measurements in the Gulf of California using GPS in which high tropospheric water vapor content yielded wet path delays in excess of 20 cm at zenith. Residual wet delays at zenith are estimated as constants and as first-order exponentially correlated stochastic processes. Calibration with WVR data is found to yield the best repeatabilities, with improved results possible if combined carrier phase and pseudorange data are used. Although SM measurements can introduce significant errors in baseline solutions if used with a simple atmospheric model and estimation of residual zenith delays as constants, SM calibration and stochastic estimation for residual zenith wet delays may be adequate for precise estimation of GPS baselines. For dry locations, WVRs may not be required to accurately model tropospheric effects on GPS baselines.

Tralli, David M.↗

NASA NTRS2004

Towards Stability Analysis of Jump Linear Systems with State-Dependent and Stochastic Switching

This paper analyzes the stability of hierarchical jump linear systems where the supervisor is driven by a Markovian stochastic process and by the values of the supervised jump linear system s states. The stability framework for this class of systems is developed over infinite and finite time horizons. The framework is then used to derive sufficient stability conditions for a specific class of hybrid jump linear systems with performance supervision. New sufficient stochastic stability conditions for discrete-time jump linear systems are also presented.

Tejada, Arturo↗

NASA NTRS2010

GUI to Facilitate Research on Biological Damage from Radiation

A graphical-user-interface (GUI) computer program has been developed to facilitate research on the damage caused by highly energetic particles and photons impinging on living organisms. The program brings together, into one computational workspace, computer codes that have been developed over the years, plus codes that will be developed during the foreseeable future, to address diverse aspects of radiation damage. These include codes that implement radiation-track models, codes for biophysical models of breakage of deoxyribonucleic acid (DNA) by radiation, pattern-recognition programs for extracting quantitative information from biological assays, and image-processing programs that aid visualization of DNA breaks. The radiation-track models are based on transport models of interactions of radiation with matter and solution of the Boltzmann transport equation by use of both theoretical and numerical models. The biophysical models of breakage of DNA by radiation include biopolymer coarse-grained and atomistic models of DNA, stochastic- process models of deposition of energy, and Markov-based probabilistic models of placement of double-strand breaks in DNA. The program is designed for use in the NT, 95, 98, 2000, ME, and XP variants of the Windows operating system.

Cucinotta, Frances A.↗

NASA NTRSDate not supplied

Supportability Concepts for Crewed Deep Space Exploration

Supportability—defined as the set of system characteristics that influence the logistics and support required to enable safe and effective operations—will be a much larger driver of mass, risk, and crew time for future human space exploration due to the more challenging mission context. For Mars, systems must operate in a logistically isolated environment for much longer durations than previous missions, which results in a higher probability of system failure and therefore an increased need for maintenance or contingency options. Mars missions also lack access to quick aborts, which increases the consequences of an unrecoverable system failure. Together, this higher likelihood and consequence of failure results in an increase in supportability-related risk. Supportability analysis is an important part of systems development that helps designers better understand the impacts of system and mission decisions on risk, mass, and crew time. The real-world processes that drive maintenance requirements and other supportability-related characteristics are probabilistic, and therefore they require different conceptual approaches and models than are used for more deterministic aspects of space systems. This paper provides an overview of supportability analysis, addresses key concepts, and provides examples of how supportability analysis can be incorporated into system development. Specifically, system supportability involves stochastic processes, and therefore must be evaluated using probabilistic models. These models can be used to perform sensitivity analysis even if system characteristics are not yet fully defined. Failure rates cannot be measured directly, but tests provide valuable data that can help refine those estimates. Human spaceflight architectures are complex, and exhibit coupled behavior that should be examined with integrated systems analysis that includes an assessment of supportability.

Supportability↗

NASA NTRSDate not supplied

Supportability Concepts for Crewed Deep Space Exploration

Supportability↗

NASA NTRS2021

Astrophysics Milestones for Pulsar Timing Array Gravitational-wave Detection

The NANOGrav Collaboration reported strong Bayesian evidence for a common-spectrum stochastic process in its12.5 yr pulsar timing array data set, with median characteristic strain amplitude at periods of a year of A(yr) = 1.92(+0.75,-0.55) x 10^(-15). However, evidence for the quadrupolar Hellings & Downs interpulsar correlations, which are characteristic of gravitational-wave signals, was not yet significant. We emulate and extend the NANOGrav data set, injecting a wide range of stochastic gravitational-wave background(GWB)signals that encompass a variety of amplitudes and spectral shapes, and quantify three key milestones.(I)Given the amplitude measured in the 12.5 yr analysis and assuming this signal is a GWB, we expect to accumulate robust evidence of an interpulsar-correlated GWB signal with 15–17 yr of data, i.e., an additional 2–5 yr from the 12.5 yr data set.(II)At the initial detection, we expect a fractional uncertainty of 40% on the power-law strain spectrum slope, which is sufficient to distinguish a GWB of supermassive black hole binary origin from some models predicting more exotic origins.(III)Similarly, the measured GWB amplitude will have an uncertainty of 44% upon initial detection, allowing us to arbitrate between some population models of supermassive black hole binaries. In addition, power-law models are distinguishable from those having low-frequency spectral turnovers once 20 yr of data are reached. Even though our study is based on the NANOGrav data, we also derive relations that allow for a generalization to other pulsar timing array data sets. Most notably, by combining the data of individual arrays into the International Pulsar Timing Array, all of these milestones can be reached significantly earlier.

Nihan S. Pol↗

NASA NTRS1982

Computational modeling of multispectral remote sensing systems: Background investigations

A computational model of the deterministic and stochastic process of remote sensing has been developed based upon the results of the investigations presented. The model is used in studying concepts for improving worldwide environment and resource monitoring. A review of various atmospheric radiative transfer models is presented as well as details of the selected model. Functional forms for spectral diffuse reflectance with variability introduced are also presented. A cloud detection algorithm and the stochastic nature of remote sensing data with its implications are considered.

Aherron, R. M.↗