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DOE OSTI2024

Transformational Regional-Scale Earthquake Simulations with the DOE EarthQuake SIMulation Exascale Framework

Earthquakes present worldwide risk to economic and human safety. The 2023 earthquakes in Turkiye provided a reminder of the potential for catastrophic consequences with 50,700 deaths and 15.7 million people affected. The ability to predict ground motions and infrastructure damage for earthquakes continues to be a challenging problem for scientists and engineers. Until now, estimates of ground motions have been performed empirically by looking at sparse data from past earthquakes. This approach can provide statistical information on intensity amplitudes but cannot inform site-specific ground motions essential to developing the most effective resilience. Interest has grown in large-scale computational models to simulate earthquakes at regional scale. The U.S. Department of Energy EarthQuake SIMulation (EQSIM) framework was developed for regional-scale earthquake simulations at unprecedented fidelity, taking advantage of emerging GPU-accelerated systems. This article describes the EQSIM workflow and demonstrates regional-scale simulations with the new computational capability available to scientists in their quest to mitigate future disasters.

58 GEOSCIENCES↗

DOE OSTI2014

Effect of time-of-flight and point spread function modeling on detectability of myocardial defects in PET

Purpose: A study was designed to investigate the impact of time-of-flight (TOF) and point spread function (PSF) modeling on the detectability of myocardial defects. Methods: Clinical FDG-PET data were used to generate populations of defect-present and defect-absent images. Defects were incorporated at three contrast levels, and images were reconstructed by ordered subset expectation maximization (OSEM) iterative methods including ordinary Poisson, alone and with PSF, TOF, and PSF+TOF. Channelized Hotelling observer signal-to-noise ratio (SNR) was the surrogate for human observer performance. Results: For three iterations, 12 subsets, and no postreconstruction smoothing, TOF improved overall defect detection SNR by 8.6% as compared to its non-TOF counterpart for all the defect contrasts. Due to the slow convergence of PSF reconstruction, PSF yielded 4.4% less SNR than non-PSF. For reconstruction parameters (iteration number and postreconstruction smoothing kernel size) optimizing observer SNR, PSF showed larger improvement for faint defects. The combination of TOF and PSF improved mean detection SNR as compared to non-TOF and non-PSF counterparts by 3.0% and 3.2%, respectively. Conclusions: For typical reconstruction protocol used in clinical practice, i.e., less than five iterations, TOF improved defect detectability. In contrast, PSF generally yielded less detectability. For large number of iterations, TOF+PSF yields the best observer performance.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2021

Development of a Framework for Data Integration, Assimilation, and Learning for Geological Carbon Sequestration (DIAL-GCS) (Final Report)

This project aimed to develop and demonstrate a Data Integration, Assimilation, and Learning framework for geologic carbon sequestration projects (DIAL-GCS). DIAL-GCS is an intelligence monitoring system (IMS) for automating GCS closed-loop management by leveraging recent developments in machine learning technologies, complex event processing (CEP), and reduced-order modeling. The safe and efficient operation of GCS repositories requires integrated monitoring to track the injected CO¬2 as it moves within a storage reservoir. GCS projects are data intensive, as a result of proliferation of digital instrumentation and smart-sensing technologies. GCS projects are also resource intensive, often requiring multidisciplinary teams performing different monitoring, verification, accounting (MVA) tasks throughout the lifecycle of a project to ensure secure containment of injected CO2. The success of GCS thus depends in a large part on our ability to access, assimilate, and analyze heterogeneous data and information sources in a timely manner. This project included a number of meaningful and necessary tasks to transform the human domain knowledge into machine-interpretable rules for automating knowledge extraction and discovery in GCS. The specific technical objectives of the proposed DIAL-GCS project were to develop an ontology-driven GCS data management module for storing, querying, and exchanging GCS data (both historic and live sensor data) from multiple sources and in heterogeneous formats. Incorporate a CEP engine for detecting abnormal situations by seamlessly combining expert knowledge, rule-based reasoning, and machine learning. Enable uncertainty quantification and predictive analytics using a combination of coupled-process modeling, AI/ML methods, and reduced-order modeling, and integrate and demonstrate the system’s capabilities with both real and simulated data. As far as we know, this is one of the first projects aimed to develop intelligent monitoring systems (IMS) targeting the GCS. Under this project, the team had developed a large number of web applications and scientific algorithms that contribute the main theme of intelligent monitoring. The team has published more than a dozen peer reviewed papers and disseminated the research results at multiple technical meetings.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1993

Operator Performance Support System (OPSS)

In the complex and fast reaction world of military operations, present technologies, combined with tactical situations, have flooded the operator with assorted information that he is expected to process instantly. As technologies progress, this flow of data and information have both guided and overwhelmed the operator. However, the technologies that have confounded many operators today can be used to assist him -- thus the Operator Performance Support Team. In this paper we propose an operator support station that incorporates the elements of Video and Image Databases, productivity Software, Interactive Computer Based Training, Hypertext/Hypermedia Databases, Expert Programs, and Human Factors Engineering. The Operator Performance Support System will provide the operator with an integrating on-line information/knowledge system that will guide expert or novice to correct systems operations. Although the OPSS is being developed for the Navy, the performance of the workforce in today's competitive industry is of major concern. The concepts presented in this paper which address ASW systems software design issues are also directly applicable to industry. the OPSS will propose practical applications in how to more closely align the relationships between technical knowledge and equipment operator performance.

Conklin, Marlen Z.↗

NASA NTRS1991

Hybrid neural network and fuzzy logic approaches for rendezvous and capture in space

The nonlinear behavior of many practical systems and unavailability of quantitative data regarding the input-output relations makes the analytical modeling of these systems very difficult. On the other hand, approximate reasoning-based controllers which do not require analytical models have demonstrated a number of successful applications such as the subway system in the city of Sendai. These applications have mainly concentrated on emulating the performance of a skilled human operator in the form of linguistic rules. However, the process of learning and tuning the control rules to achieve the desired performance remains a difficult task. Fuzzy Logic Control is based on fuzzy set theory. A fuzzy set is an extension of a crisp set. Crisp sets only allow full membership or no membership at all, whereas fuzzy sets allow partial membership. In other words, an element may partially belong to a set.

Berenji, Hamid R.↗

NASA NTRS2000

Hardware Development Process for Human Research Facility Applications

The simple goal of the Human Research Facility (HRF) is to conduct human research experiments on the International Space Station (ISS) astronauts during long-duration missions. This is accomplished by providing integration and operation of the necessary hardware and software capabilities. A typical hardware development flow consists of five stages: functional inputs and requirements definition, market research, design life cycle through hardware delivery, crew training, and mission support. The purpose of this presentation is to guide the audience through the early hardware development process: requirement definition through selecting a development path. Specific HRF equipment is used to illustrate the hardware development paths. The source of hardware requirements is the science community and HRF program. The HRF Science Working Group, consisting of SCientists from various medical disciplines, defined a basic set of equipment with functional requirements. This established the performance requirements of the hardware. HRF program requirements focus on making the hardware safe and operational in a space environment. This includes structural, thermal, human factors, and material requirements. Science and HRF program requirements are defined in a hardware requirements document which includes verification methods. Once the hardware is fabricated, requirements are verified by inspection, test, analysis, or demonstration. All data is compiled and reviewed to certify the hardware for flight. Obviously, the basis for all hardware development activities is requirement definition. Full and complete requirement definition is ideal prior to initiating the hardware development. However, this is generally not the case, but the hardware team typically has functional inputs as a guide. The first step is for engineers to conduct market research based on the functional inputs provided by scientists. CommerCially available products are evaluated against the science requirements as well as modifications needed to meet program requirements. Options are consolidated and the hardware development team reaches a hardware development decision point. Within budget and schedule constraints, the team must decide whether or not to complete the hardware as an in-house, subcontract with vendor, or commercial-off-the-shelf (COTS) development. An in-house development indicates NASA personnel or a contractor builds the hardware at a NASA site. A subcontract development is completed off-site by a commercial company. A COTS item is a vendor product available by ordering a specific part number. The team evaluates the pros and cons of each development path. For example, in-bouse developments utilize existing corporate knowledge regarding bow to build equipment for use in space. However, technical expertise would be required to fully understand the medical equipment capabilities, such as for an ultrasound system. It may require additional time and funding to gain the expertise that commercially exists. The major benefit of subcontracting a hardware development is the product is delivered as an end-item and commercial expertise is utilized. On the other hand, NASA has limited control over schedule delays. The final option of COTS or modified COTS equipment is a compromise between in-house and subcontracts. A vendor product may exist that meets all functional requirements but req uires in-house modifications for successful operation in a space environment. The HRF utilizes equipment developed using all of the paths described: inhouse, subcontract, and modified COTS.

Bauer, Liz↗

NASA NTRS2017

Perspectives from the Wearable Electronics and Applications Research (WEAR) Lab, NASA Johnson Space Center

As NASA moves beyond exploring low earth orbit and into deep space exploration, increased communication delays between astronauts and earth drive a need for crew to become more autonomous (earth-independent). Currently crew on board the International Space Station (ISS) have limited insight into specific vehicle system performance because of the dependency on monitoring and real-time communication with Mission Control. Wearable technology provides a method to bridge the gap between the human (astronaut) and the system (spacecraft) by providing mutual monitoring between the two. For example, vehicle or environmental information can be delivered to astronauts through on-body devices and in return wearables provide data to the spacecraft regarding crew health, location, etc. The Wearable Electronics and Applications Research (WEAR) Lab at the NASA Johnson Space Center utilizes a collaborative approach between engineering and human factors to investigate the use of wearables for spaceflight. Zero and partial gravity environments present unique challenges to wearables that require collaborative, user-centered, and iterative approaches to the problems. Examples of the WEAR Lab's recent wearable projects for spaceflight will be discussed.

Moses, Haifa R.↗

NASA NTRS2017

Perspectives from the Wearable Electronics and Applications Research (WEAR) Lab, NASA, Johnson Space Center

Moses, Haifa R.↗

NASA NTRSDate not supplied

Artemis Lunar Surface VR/ARGOS Trainer

This proposal aims to provide insight by identifying potential risks and unknowns of lander egress and surface operations through a Mixed Reality (MR) planning, training, and analysis capability that integrates Virtual Reality (VR) simulations and the Active Response Gravity Offload System (ARGOS) in support of Artemis missions to the moon. The VR simulation will incorporate lunar digital elevation map data and imagery to provide accurate terrain of the south pole and Shackleton Crater. Date specific ephemerides will used to simulate the extreme lighting environment. Virtual representations of a lunar lander vehicle will be represented with a physical mockup of the porch and ladder assembly. Human-in-the-loop engineering test runs within ARGOS will be used to refine performance of the Mixed Reality interface with the mockup platform and define procedures for training.

Lee K Bingham↗

NASA NTRS2019

Cloud Computing Methods for Near Rectilinear Halo Orbit Trajectory Design

Complicated mission design problems require innovative computational solutions. As spacecraft depart from a proposed Gateway in a Near Rectilinear Halo Orbit (NRHO), recontact analysis is required to avoid risk of collision and ensure safe operations. Escape dynamics from NRHOs are governed by multiple gravitational bodies, yielding a trajectory design space that is exhaustively large. This paper summarizes the recontact analysis for departure from the NRHO and describes how the Deep Space Trajectory Explorer (DSTE) trajectory design software incorporates high performance cloud computing to compute and visualize the orbit design space. Recent focus on exploration missions to cislunar space has kindled accelerated interest in multibody orbit solutions. Trajectory analysis in the presence of multiple gravity fields is complex, and innovative computational tools are needed to simplify complicated design spaces, to generate large quantities of data quickly, and to visualize the output for user accessibility. The Gateway mission is a prime example. The Gateway1 is proposed as a human outpost in deep space. The current baseline orbit for the Gateway is a Near Rectilinear Halo Orbit (NRHO) near the Moon.2 The NRHO exists in a regime that experiences the gravitational effects of the Earth and the Moon simultaneously, complicating orbit analysis. The mission design process benefits greatly from updated computational tools for multibody missions like the Gateway. As an example, consider the problem of assessing the risk of collision in an NRHO. As a staging location to missions to the lunar surface and beyond the Earth-Moon system, the Gateway will experience spacecraft and other objects regularly arriving and departing. Departing objects potentially include spent logistics modules, visiting crew vehicles, debris objects, wastewater particles, and cubesats. Each departure is governed by the dynamics of the Gateway orbit and the surrounding dynamical environment. Over time, any unmaintained object in such an orbit eventually departs due to the small instabilities associated with the NRHOs. A separation maneuver speeds the departure from the NRHO, but the effects of the maneuver on the spacecraft behavior depend on the location, magnitude, and direction of the burn. Escape dynamics from the NRHO with regard to these maneuver options open up an enormous potential trajectory design space where subtle changes in input can produce dramatically large changes in the results. Any departing object must avoid recontacting the Gateway as it leaves the lunar vicinity, and a recontact analysis thus involves a significant number of computations and extensive output data. To explore the dynamics of this extensive design space, the Deep Space Trajectory Explorer3 (DSTE) trajectory design software incorporates new High Performance Computing (HPC) services and novel interactive visualizations. This paper details the HPC and cloud infrastructure techniques that are implemented in the DSTE, applying the new capabilities to analysis of recontact risk with the Gateway in NRHO. NEAR RECTILINEAR HALO ORBITS The Gateway is planned to fly in a lunar NRHO as its baseline orbit. The NRHO families of orbits are subsets of the larger halo families, which originate from planar orbits near the L1 and L2 libration points; the Earth-Moon L2 halo family appears in Figure 1. Each halo orbit is perfectly periodic in the Circular Restricted 3-Body Problem (CR3BP) and becomes a quasi-periodic orbit in a higher fidelity ephemeris force model. The NRHOs are defined as those members of the halo family with bounded stability properties;2 they pass near the Moon at perilune and are nearly polar. Families exist with apolunes located both above the lunar north pole and above the lunar south pole; the Gateway is planned to reside in a southern L2 NRHO in a 9:2 resonance with the lunar synodic period. The 9:2 NRHO is characterized by a period of about 6.5 days, a perilune radius of about 3,500 km, and an apolune radius of about 71,000 km; it is strongly affected by the gravity of both the Earth and the Moon simultaneously. This NRHO offers extended communications with assets on the south pole of the Moon,4 as well as low-cost orbit maintenance and attitude control,5 favorable eclipse avoidance properties,6 and inexpensive transfers from Earth and to other destinations.5,7 The NRHO portion of the southern L2 halo family is highlighted in black in Figure 1, and the 9:2 NRHO appears in blue.

Phillips, Sean M.↗

NASA NTRS2005

Proposal to Simultaneously Profile Wind and CO2 on Earth and Mars With 2-micron Pulsed Lidar Technologies

2-micron lidar technology has been in use and under continued improvement for many years toward wind measurements. But the 2-micron wavelength region is also rich in absorption lines of CO2 (and H2O to a lesser extent) that can be exploited with the differential absorption lidar (DIAL) technique to make species concentration measurements. A coherent detection receiver offers the possibility of making combined wind and DIAL measurements with wind derived from frequency shift of the backscatter spectrum and species concentration derived from power of the backscatter spectrum. A combined wind and CO2 measurement capability is of interest for applications on both Earth and Mars. CO2 measurements in the Earth atmosphere are of importance to studies of the global carbon cycle. Data on vertically-resolved CO2 profiles over large geographical observations areas are of particular interest that could potentially be made by deploying a lidar on an aircraft or satellite. By combining CO2 concentration with wind measurements an even more useful data product could be obtained in the calculation of CO2 flux. A challenge to lidar in this application is that CO2 concentration measurements must be made with a high level of precision and accuracy to better than 1%. The Martian atmosphere also presents wind and CO2 measurement problems that could be met with a combined DIAL/Doppler lidar. CO2 concentration in this scenario would be used to calculate atmospheric density since the Martian atmosphere is composed of 95% CO2. The lack of measurements of Mars atmospheric density in the 30-60 km range, dust storm formation and movements, and horizontal wind patterns in the 0-20 km range pose significant risks to aerocapture, and entry, descent, and landing of future robotic and human Mars missions. Systematic measurement of the Mars atmospheric density and winds will be required over several Mars years, supplemented with day-of-entry operational measurements. To date, there have been 5 successful robotic landings on Mars. Atmospheric density and wind reconstruction has been performed for 3 of these entries (the two Viking landers and Mars Pathfinder). At present, all Mars atmospheric density and wind models have these 3 entries (at widely scattered positions and seasons) as their basis, supplemented by coarse orbital measurements of atmospheric opacity and temperature. This lack of data leads to a large uncertainty in prediction of the Mars atmospheric density and winds in the altitude regime where deceleration of landers will occur. This uncertainty will have a dramatically large impact on mass, cost and risk. The precision and accuracy for application to Mars is not as stringent as Earth, but Mars does pose a challenge in needing a high level of wavelength stability and control in order to reference wavelength to the narrow linewidths found in the low atmospheric pressure of Mars, as illustrated in Figure 1.

Singh, Upendra N.↗

NASA NTRS1997

The heuristic and motivational value of video reinforcement

Four rhesus monkeys (Macaca mulatta) were tested on joystick-based computer tasks in which they could choose to be reinforced either with pellets-only or with pellets + video. A variety of videotapes were used to reinforce task performance. The monkeys significantly preferred to be rewarded with a pellet and 10 s of a blank screen than a pellet plus 10 s of videotape. When they did choose to see videotaped images, however, they were significantly more likely to view video of themselves than video of their roommate or of unfamiliar conspecifics. These data support earlier findings of individual differences in preference for video reinforcement, and have clear implications for the study of face-recognition and self-recognition by nonhuman primates.

NASA Discipline Space Human Factors↗

NASA NTRSDate not supplied

Developing Mission Segment-Specific Clinical Data for Impact

Space exploration missions represent a significant future objective for NASA’s human spaceflight operations for the near and long term. By operating missions during longer periods and over further distances, NASA’s mission planning models, hardware systems, and medical capabilities will be stretched beyond their original design constraints. The necessity of medical training and medical supply manifesting for such missions is likely to become incredibly intricate as trade-space analysis is performed over varying mission profiles. For this purpose, IMPACT was created to extend and improve the Integrated Medical Model (IMM) which is used for International Space Station (ISS) medical predications and consists of a probabilistic risk assessment tool that simulates missions to calculate risks given the constraints on crew complement, mission duration and activity (such as Extravehicular Activities), power, communication, mass, volume, and evacuation consideration as well as to predict mission outcomes. Currently, the medical evidence used to support IMPACT remains static, addressing risks of a medical condition and the impacts of the condition during spaceflight only, but is only calculated for a small number of mission parameters. Extended missions will consist of new and varied living environments, changing gravitational loads, and dynamic working requirements. Medical risks are not typically constant but will change depending upon the physical and physiological environment of the body during all phases of a mission. Risks are likely to shift during different mission segments, and understanding how components of a mission profile change risks will assist mission planners to increase chances for mission success.

Christopher Zahner↗

DOE OSTI2021

Structure Perception in 3D Point Clouds

Understanding human perception is critical to the design of effective visualizations. The relative benefits of using 2D versus 3D techniques for data visualization is a complex decision space, with varying levels of uncertainty and disagreement in both the literature and in practice. This study aims to add easily reproducible, empirical evidence on the role of depth cues in perceiving structures or patterns in 3D point clouds. We describe a method to synthesize a 3D point cloud that contains a 3D structure, where 2D projections of the data strongly resemble a Gaussian distribution. We performed a within-subjects structure identification study with 128 participants that compared scatterplot matrices (canonical 2D projections) and 3D scatterplots under three types of motion: rotation, xy-translation, and z-translation. We found that users could consistently identify three separate hidden structures under rotation, while those structures remained hidden in the scatterplot matrices and under translation. This work contributes a set of 3D point clouds that provide definitive examples of 3D patterns perceptible in 3D scatterplots under rotation but imperceptible in 2D scatterplots.

data analysis↗

NASA NTRS1998

Deposition and dispersion of 1-micrometer aerosol boluses in the human lung: effect of micro- and hypergravity

We performed bolus inhalations of 1-micrometer particles in four subjects on the ground (1 G) and during parabolic flights both in microgravity (microG) and in approximately 1.6 G. Boluses of approximately 70 ml were inhaled at different points in an inspiration from residual volume to 1 liter above functional residual capacity. The volume of air inhaled after the bolus [the penetration volume (Vp)] ranged from 200 to 1,500 ml. Aerosol concentration and flow rate were continuously measured at the mouth. The deposition, dispersion, and position of the bolus in the expired gas were calculated from these data. For Vp >/=400 ml, both deposition and dispersion increased with Vp and were strongly gravity dependent, with the greatest deposition and dispersion occurring for the largest G level. At Vp = 800 ml, deposition and dispersion increased from 33.9% and 319 ml in microG to 56.9% and 573 ml at approximately 1.6 G, respectively (P < 0.05). At each G level, the bolus was expired at a smaller volume than Vp, and this volume became smaller with increasing Vp. Although dispersion was lower in microG than in 1 G and approximately 1.6 G, it still increased steadily with increasing Vp, showing that nongravitational ventilatory inhomogeneity is partly responsible for dispersion in the human lung.

Parabolic Flight↗

DOE OSTI2023

Developing an Evolutionary Baseline Model for Humans: Jointly Inferring Purifying Selection with Population History

Building evolutionarily appropriate baseline models for natural populations is not only important for answering fundamental questions in population genetics—including quantifying the relative contributions of adaptive versus nonadaptive processes—but also essential for identifying candidate loci experiencing relatively rare and episodic forms of selection (e.g., positive or balancing selection). Here, a baseline model was developed for a human population of West African ancestry, the Yoruba, comprising processes constantly operating on the genome (i.e., purifying and background selection, population size changes, recombination rate heterogeneity, and gene conversion). Specifically, to perform joint inference of selective effects with demography, an approximate Bayesian approach was employed that utilizes the decay of background selection effects around functional elements, taking into account genomic architecture. This approach inferred a recent 6-fold population growth together with a distribution of fitness effects that is skewed towards effectively neutral mutations. Importantly, these results further suggest that, although strong and/or frequent recurrent positive selection is inconsistent with observed data, weak to moderate positive selection is consistent but unidentifiable if rare.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Organizational and psychological measures for data center energy efficiency: barriers and mitigation strategies

Abstract It was last estimated that in 2020, data centers comprised approximately 2% of total US electricity consumption, with an estimated annual growth rate of 4%. As our country increasingly relies on information technology (IT), our data centers (DCs) will need to increase their energy efficiency (EE) to stabilize their energy consumption. The task of studying EE in DCs is complicated by the interconnected nature of humans and mission-critical technical systems. Moreover, the literature tends to focus on technology solutions such as improvements to IT equipment, cooling infrastructure, and software, without addressing organizational and psychological drivers. Our research demystifies the complex interactions between humans and DCs, by asking What non-technical barriers impede EE investment decision-making and/or implementing energy management strategies? To begin to answer this question, we perform a literature review of 86 resources, ranging from peer-reviewed journal publications to handbooks. We also consider related fields such as organizational behavioral management and energy intensive buildings. We develop a public Zotero library, perform content coding, and complete a rudimentary network analysis. Our findings from the literature review suggest that (1) technological solutions are abundant in the literature but fall short of providing practical guidance on the pitfalls of implementation, (2) making energy efficiency a priority at the executive level of organizations will be largely ineffective if the IT and facilities staff are not directly incentivized to increase EE, and (3) there is minimal current understanding of how the individual psychologies of IT and facilities staff affect EE implementation in DCs. In the next phase of our research, we plan to interview data center operators/experts to ground-truth our literature findings and collaboratively design decarbonization policy solutions that target organizational structure, empower individual staff, and foster a supportive external market.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRSDate not supplied

Simulation of Radiation-Induced DNA Damage With the Code RITRACKS

INTRODUCTION DNA damage is one of the most physiologically important effects of ionizing radiation. Clustered DNA damage events, like double-strand breaks (DSBs), have the most notable biological consequences. DNA damage types depend on both the track structure of the radiation and the spatial organization of the DNA. High linear energy transfer (LET) charged nuclei, found in galactic cosmic rays (GCR), are known to produce large numbers of complex DNA damage events. The human genome is packaged into chromatin, which can take on locus-dependent and cell type-dependent spatial conformations that correspond to epigenetic states, such as more open, extended structures in transcriptionally active chromatin. These epigenetic differences can affect DNA break patterns in response to ionizing radiation, potentially creating distinct DNA repair and signaling outcomes across the genome in different cells. MATERIAL AND METHODS The code RITRACKS (Relativistic Ion Tracks), which simulates stochastic radiation track structures and radiation chemistry, was used to model damage on isolated and histone-bound DNA by various types of ions and photons. The changes made to the code to perform radiation-induced DNA damage, and simulation results on single nucleosomes are given in our recent paper. In this work, the DNA building capabilities of RITRACKS have been extended to simulate more complex DNA structures build on the coarse-grain simulation framework meso-WLCsim. This code can sample generic chromatin fiber conformation ensembles based on the geometry of nucleosomes and mechanical properties of DNA. Using RITRACKS, we simulated the fragment length distributions (FLD) of irradiated DNA structures built using the chromatin conformations of WLCsim and obtained results representative of those obtained with Radiation-Induced Correlated Cleavage with sequencing (RICC-Seq) experiments [6]. We have also performed Fe ion and photon irradiations of K562, IMR90, BJ and RPE-1 cells at NSRL to experimentally validate results. Sample processing and data analysis are in progress and any available preliminary results will be discussed. DISCUSSION The recent updates in the code RITRACKS allow the calculation of several quantities such as the DNA damage yield and the FLD. This approach can be used to model epigenetic state-specific chromatin structure parameters to leverage the epigenetic state data available for many human cell types to infer relative DNA damage sensitivity among genomic loci.

I Plante↗