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DOE OSTI2020

Far-field thermal imaging below diffraction limit

Non-uniform self-heating and temperature hotspots are major concerns compromising the performance and reliability of submicron electronic and optoelectronic devices. At deep submicron scales where effects such as contact-related artifacts and diffraction limits accurate measurements of temperature hotspots, non-contact thermal characterization can be extremely valuable. In this work, we use a Bayesian optimization framework with generalized Gaussian Markov random field (GGMRF) prior model to obtain accurate full-field temperature distribution of self-heated metal interconnects from their thermoreflectance thermal images (TRI) with spatial resolution 2.5 times below Rayleigh limit for 530nm illumination. Finite element simulations along with TRI experimental data were used to characterize the point spread function of the optical imaging system. In addition, unlike iterative reconstruction algorithms that use ad hoc regularization parameters in their prior models to obtain the best quality image, we used numerical experiments and finite element modeling to estimate the regularization parameter for solving a real experimental inverse problem.

42 ENGINEERING↗

NASA NTRS1999

Time of Arrival Retrievals on an Oblate Spheroidal Earth

The current National Lightning Detection Network (NLDN) retrieval algorithm is based on a chi sq minimization. This numerical approach finds the lightning ground strike location on an ellipsoidal Earth that optimally agrees with multiple station time of arrival (TOA) measurements and, if available, magnetic bearing data. In addition, an analytic solution for determining lightning ground strike locations on a spherical Earth using only TOA data has been recently introduced. In the current work, a quasi-analytic approach is suggested for determining lightning ground strike locations on an oblate spheroidal Earth by perturbing the spherical model results proposed by Koshak. Latitude, longitude, time, and the associated perturbed quantities are related through terms in a Taylor series. The correction terms may be considered collectively as a vector which may be calculated by an overconstrained inversion. Expressions for the derivatives contained in the Taylor series are given in terms of elliptic integrals.

Solakiewicz, Richard J.↗

DOE OSTI2020

An Experimental Feasibility Study on Applying Neutron Tomography to Encapsulated Spent Nuclear Fuel - 20050

Visual inspection makes easier to ensure the integrity and safety of spent nuclear fuel (SNF) than any classical techniques. Various classical techniques have been applied but there are no reliable methods to qualitatively and quantitatively verify spent fuel in dry storage. Thus, the present authors have developed the prototype safeguards apparatus for dry storage employing the array of He-4 gas scintillation detectors (S670E, Arktis Radiation Detectors Ltd., Switzerland), newly designed to simultaneously measure thermal and fast neutrons without any moderators. The S670E detector has a cylindrical shape with a diameter of 52 mm and active length of 600 mm (total length: 875 mm). The detector is filled by He-4 gas with an approximate pressure of 180 bar for fast neutron detection, and its inner wall is coated by Li-6 for thermal neutron detection. The scintillation lights generated via Li-6 nuclear reaction and elastic scattering are collected by 24 SiPMs linearly paired at the center of the detector. The detector delivers a TTL (Transistor-Transistor Logic) output for pulse readout and UART (Universal Asynchronous Receiver Transmitter) for device control. In order to assess feasibility of the apparatus, an experimental system has been designed, built, and optimized via computational studies. Cf-252 neutron sources and linearly arrayed detectors, working as a single detector, were occupied for this study due to the difficulties in working with SNF. The laboratory scale cask (diameter: 0.67 m, height: 1.5 m), minimized by a factor of 10 compared to the actual thickness of a commercial TN-32 cask, was also manufactured. The detector array was designed to rotate the lab-scale cask and obtain 36 image profiles at every 10 degrees. All profiles were aligned in single frame image called a sinogram, and the cross-sectional image was then fabricated by the inverse radon transform algorithm. These experiments have been repeated with different configurations and numbers of sources. Some gamma-ray sources were also measured with neutron sources in order to distinguish between neutron and gamma-ray pulses. Basically, a He-4 detector is designed to run on Linux OS so it is difficult to directly apply to Windows-based equipment widely used in S. Korea. Therefore, a new data acquisition board working on Windows OS was designed and built. The board mainly consists of FPGA (Field Programmable Gate Array) and SoC (System on Chip) for TTL pulse readout, sorting measured data, and transferring data to a user interface. In conclusion, the tomographic system at lab-scale has shown considerable potential to detect a partial or gross defect of encapsulated assemblies in dry storage. Next steps of this study will be to 1) repeatedly carry out experiments to demonstrate scientific reliability and validity, and 2) numerically integrate signals with weight factors to enhance the image quality since the suggested system based on passive interrogation method requires longer measurement time. Finally, the system will apply to a commercial dry storage phased out soon in S. Korea. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2020

Spin-orbit-proximitized ferromagnetic metal by monolayer transition metal dichalcogenide: Atlas of spectral functions, spin textures, and spin-orbit torques in Co/MoSe 2 , Co/WSe 2 and Co/TaSe 2 heterostructures

In this work, the heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are the principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics. The key quantity in theoretical description of these effects is nonequilibrium spin density, which can appear on any monolayer of the heterostructure through which the current is flowing as long as the monolayer bands are affected by the native or proximity induced SO coupling. Here we demonstrate how hybridization of wave functions of Co layer and a monolayer of transition metal dichalcogenides (TMDs)—such as semiconducting MoSe 2 and WSe 2 or metallic TaSe 2 —can lead to dramatic transmutation of electronic and spin structure of Co within some distance away from its interface with TMD, when compared to the bulk of Co or its surface in contact with a vacuum. This is due to proximity induced SO splitting of Co bands encoded in the spectral functions and spin textures on its monolayers, which we obtain using noncollinear density functional theory (ncDFT) combined with equilibrium Green function (GF) calculations. In fact, SO splitting is present due to structural inversion asymmetry of the bilayer—i.e., just the presence of the interface—even if SO coupling within TMD monolayer is artificially switched off in ncDFT calculations. However, switching it on makes the effects associated with proximity SO coupling within Co layer about five times larger. Injecting spin-unpolarized charge current through SO-proximitized monolayers of Co generates nonequilibrium spin density over them, so that its cross product with the magnetization of Co determines SO torque. The SO torque computed via first-principles quantum transport methodology, which combines ncDFT with nonequilibrium GF calculations, can be used as the screening parameter to identify optimal combination of materials and their interfaces for applications in spintronics. In particular, we identify heterostructure two-monolayer-Co/monolayer-WSe 2 as the most optimal one, at least in the clean limit.

2-dimensional systems↗

NASA NTRS2013

Adaptive Sampling of Spatiotemporal Phenomena with Optimization Criteria

This work was designed to find a way to optimally (or near optimally) sample spatiotemporal phenomena based on limited sensing capability, and to create a model that can be run to estimate uncertainties, as well as to estimate covariances. The goal was to maximize (or minimize) some function of the overall uncertainty. The uncertainties and covariances were modeled presuming a parametric distribution, and then the model was used to approximate the overall information gain, and consequently, the objective function from each potential sense. These candidate sensings were then crosschecked against operation costs and feasibility. Consequently, an operations plan was derived that combined both operational constraints/costs and sensing gain. Probabilistic modeling was used to perform an approximate inversion of the model, which enabled calculation of sensing gains, and subsequent combination with operational costs. This incorporation of operations models to assess cost and feasibility for specific classes of vehicles is unique.

Chien, Steve A.↗

DOE OSTI2015

SU-E-T-814: Whole Breast Irradiation with Two Different Intensity Modulation Radiotherapy Techniques

Purpose: Breast cancer now mainly received forward intensity modulation radiotherapy (f-IMRT) and inverse IMRT (i-IMRT). The purpose of this study was to observe the differences of two treatment methods. Methods: 10 patients after left breast-conserving surgery were selected to receive radiotherapy. For each patient, two treatment plans (f-IMRT and i-IMRT) were designed. For f-IMRT plans, two tangent beams were designed to the target, and in each tangent orientation two or three segment beams were designed to reduced high dose region in the target and the dose of lung received. For i-IMRT plans, two tangent beams were designed to the target and the treatment planning system optimize the dose according to the optimization parameters. For each plan 50Gy was prescribed. Results: In f-IMRT and i-IMRT plans, the average target conformal index (CI) were (0.67±0.06) and (0.66±0.06), (P>0.05); average homogeneity index (HI) were (28.2±6.0)% and (26.1±6.8)%, (P>0.05); volume of left lung received 20Gy (V20) were (18.7±3.3)% and (17.0±2.8)%, (P<0.05), V30 were (15.5±3.0)% and (14.0±2.6)%, (P<0.05); V30 of heart were (4.1±3.1)% and (3.5±2.5)%, (P>0.05); Monitor Unit (MU) were (262±5)MU and (308±14)MU. Conclusion: Compared with i-IMRT plan, for breast cancer, the differences of CI and HI were not significant. Because of fewer MU, f-IMRT plan could reduce the machine abrasion and treatment time, but dose of normal tissue received were higher significantly than i-IMRT plan.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2013

Downscaling Satellite Precipitation with Emphasis on Extremes: A Variational 1-Norm Regularization in the Derivative Domain

The increasing availability of precipitation observations from space, e.g., from the Tropical Rainfall Measuring Mission (TRMM) and the forthcoming Global Precipitation Measuring (GPM) Mission, has fueled renewed interest in developing frameworks for downscaling and multi-sensor data fusion that can handle large data sets in computationally efficient ways while optimally reproducing desired properties of the underlying rainfall fields. Of special interest is the reproduction of extreme precipitation intensities and gradients, as these are directly relevant to hazard prediction. In this paper, we present a new formalism for downscaling satellite precipitation observations, which explicitly allows for the preservation of some key geometrical and statistical properties of spatial precipitation. These include sharp intensity gradients (due to high-intensity regions embedded within lower-intensity areas), coherent spatial structures (due to regions of slowly varying rainfall),and thicker-than-Gaussian tails of precipitation gradients and intensities. Specifically, we pose the downscaling problem as a discrete inverse problem and solve it via a regularized variational approach (variational downscaling) where the regularization term is selected to impose the desired smoothness in the solution while allowing for some steep gradients(called 1-norm or total variation regularization). We demonstrate the duality between this geometrically inspired solution and its Bayesian statistical interpretation, which is equivalent to assuming a Laplace prior distribution for the precipitation intensities in the derivative (wavelet) space. When the observation operator is not known, we discuss the effect of its misspecification and explore a previously proposed dictionary-based sparse inverse downscaling methodology to indirectly learn the observation operator from a database of coincidental high- and low-resolution observations. The proposed method and ideas are illustrated in case studies featuring the downscaling of a hurricane precipitation field.

Hurricanes↗

DOE OSTI2022

Deep Learning and Natural Language Processing for Accelerated Inverse Design of Optical Metamaterials

Optical metamaterial device design has enjoyed a long track of success over the past 50 years leading to the manipulation of light over a wide range of wavelengths spanning the ultraviolet to the far infrared. The manipulation of light over such wavelengths has already led to many technological advancements such as the design of selective radiative absorbers for solar energy, daytime passive cooling using deep space, and optical invisibility cloaks for defense applications. Further disruptive advancements in energy, defense, computing, and biomedical fields could be enabled or enhanced by future optical metamaterial devices. These technologies could lead to increased energy efficiency and hence reduced national primary energy consumption, cheap long duration energy storage, and next generation solid-state heat engines. But historically the methods to invent and develop all of these devices have been time- consuming and based mostly on intuition and iteration. Finding an optimal design can take years.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Deep Learning and Natural Language Processing for Accelerated Inverse Design of Optical Metamaterials

36 MATERIALS SCIENCE↗

NASA NTRS2011

MoSST DAS: The First Working Geomagnetic Data Assimilation System

The Earth possesses an internal magnetic field (geomagnetic field) generated by convection in the outer core (geodynamo). Previous efforts have been focused along two distinct paths: (1) numerical geodynamo modeling to understand the origin of the geomagnetic field, and the mechanisms of geomagnetic secular variations (SV); and (2) geomagnetic field modeling to map the spatial/temporal variations of the field from geomagnetic data, and to derive core properties, e.g. inversion of core flow near the core-mantle boundary (CMB). Geomagnetic data assimilation is a new approach emerged over the past 5 years: surface observations are assimilated with geodynamo models for better understanding of the core dynamical state, and accurately prediction of SV. In collaboration with several geomagnetic research groups, we have developed the first working geomagnetic data assimilation system, Modular, Scalable, Self-consistent, and Three-dimensional (MoSST) DAS, that includes the MoSST numerical dynamo model; 7000 years of geomagnetic field maps from several field models utilizing satellite and ground observatory data, historical magnetic records and archeo/paleo magnetic data; and an ensemble based optimal interpolation (01) assimilation algorithm. With this system, we have demonstrated clearly that the assimilated core dynamical state is substantially different from those of pure geodynamo simulations. Ensemble assimilation runs also show the convergence of the assimilated solutions inside the core, suggesting that the simulation state is pulled closer to the truth via data assimilation. The forecasts from this system are also very accurate: the 5-year forecast of the geomagnetic field agrees very well with the observations; and the 5-year secular variation forecast is more accurate than the IGRF SV forecast models in the past. Using geomagnetic records up to 2009, we have made an SV forecast for the period from 2010-2015, and is a candidate SV model for IGRF-11.

Kuang, Weijia↗

DOE OSTI2015

How do rubber (Hevea brasiliensis) plantations behave under seasonal water stress in northeastern Thailand and central Cambodia?

Not Available

Kumagai, Tomo’omi↗

DOE OSTI2025

Dynamics of inverse metal oxides on metal catalysts using spectro-kinetics: reversible Brønsted acid site formation and irreversible reduction

Brønsted acid sites (BASs) in inverse catalysts are vital for the selective hydrogenolysis of polyols, specifically cleaving secondary C–O bonds. These BASs form dynamically in situ in an H 2 environment. While H 2 enables rapid BAS generation on short timescales, it reduces the catalyst at prolonged exposures. The active center for BAS generation, the kinetics of BAS formation, its reverse decomposition, and the irreversible oxide reduction have lacked direct experimental evidence. Here, aided by advanced spectro-kinetic studies, we identify trimeric W 3 O x sites on Pt as the active centers for BAS generation, whereas isolated WO x species on SiO 2 act merely as spectator species, demonstrated using an inverse WO x /Pt catalyst as a representative system. A detailed kinetic profile capturing the dynamics of W 3 O x sites on Pt is also established. The rate constant for BAS formation is two orders of magnitude higher than for its decomposition, which is one order of magnitude faster than the irreversible site reduction. Co-fed H 2 O suppresses the site reduction by ∼50%. Furthermore, the H 2 partial pressure plays an important role. While lower gas-phase H 2 partial pressure does not influence the reversible BAS formation, it can significantly (∼3×) suppress catalyst reduction. Finally, these findings offer critical insights into optimizing reaction conditions through periodic H 2 pulsing, enhancing catalyst stability and performance in hydrogenolysis reactions.

Sourav, Sagar [Indian Inst. of Technology (IIT), M↗

DOE OSTI2015

Treatment planning for radiotherapy with very high-energy electron beams and comparison of VHEE and VMAT plans

Purpose: The aim of this work was to develop a treatment planning workflow for rapid radiotherapy delivered with very high-energy electron (VHEE) scanning pencil beams of 60–120 MeV and to study VHEE plans as a function of VHEE treatment parameters. Additionally, VHEE plans were compared to clinical state-of-the-art volumetric modulated arc therapy (VMAT) photon plans for three cases. Methods: VHEE radiotherapy treatment planning was performed by linking EGSnrc Monte Carlo (MC) dose calculations with inverse treatment planning in a research version of RayStation. In order to study the effect of VHEE treatment parameters on VHEE dose distributions, a MATLAB graphical user interface (GUI) for calculation of VHEE MC pencil beam doses was developed. Through the GUI, pediatric case MC simulations were run for a number of beam energies (60, 80, 100, and 120 MeV), number of beams (13, 17, and 36), pencil beam spot (0.1, 1.0, and 3.0 mm) and grid (2.0, 2.5, and 3.5 mm) sizes, and source-to-axis distance, SAD (40 and 50 cm). VHEE plans for the pediatric case calculated with the different treatment parameters were optimized and compared. Furthermore, 100 MeV VHEE plans for the pediatric case, a lung, and a prostate case were calculated and compared to the clinically delivered VMAT plans. All plans were normalized such that the 100% isodose line covered 95% of the target volume. Results: VHEE beam energy had the largest effect on the quality of dose distributions of the pediatric case. For the same target dose, the mean doses to organs at risk (OARs) decreased by 5%–16% when planned with 100 MeV compared to 60 MeV, but there was no further improvement in the 120 MeV plan. VHEE plans calculated with 36 beams outperformed plans calculated with 13 and 17 beams, but to a more modest degree (<8%). While pencil beam spacing and SAD had a small effect on VHEE dose distributions, 0.1–3 mm pencil beam sizes resulted in identical dose distributions. For the 100 MeV VHEE pediatric plan, OAR doses were up to 70% lower and the integral dose was 33% lower for VHEE compared to 6 MV VMAT. Additionally, VHEE conformity indices (CI{sub 100} = 1.09 and CI{sub 50} = 4.07) were better than VMAT conformity indices (CI{sub 100} = 1.30 and CI{sub 50} = 6.81). The 100 MeV VHEE lung plan resulted in mean dose decrease to all OARs by up to 27% for the same target coverage compared to the clinical 6 MV flattening filter-free (FFF) VMAT plan. The 100 MeV prostate plan resulted in 3% mean dose increase to the penile bulb and the urethra, but all other OAR mean doses were lower compared to the 15 MV VMAT plan. The lung case CI{sub 100} and CI{sub 50} conformity indices were 3% and 8% lower, respectively, in the VHEE plan compared to the VMAT plan. The prostate case CI{sub 100} and CI{sub 50} conformity indices were 1% higher and 8% lower, respectively, in the VHEE plan compared to the VMAT plan. Conclusions: The authors have developed a treatment planning workflow for MC dose calculation of pencil beams and optimization for treatment planning of VHEE radiotherapy. The authors have demonstrated that VHEE plans resulted in similar or superior dose distributions for pediatric, lung, and prostate cases compared to clinical VMAT plans.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

A laser inverse Compton scattering diagnostic to study runaway electron dynamics during tokamak disruptions

Both technical and simulation progress has been made toward implementing a laser inverse Compton scattering diagnostic on the DIII-D tokamak. This is a novel diagnostic which uses a short (sub-ns) pulse laser together with a fast (sub-ns) gated x-ray detector to measure relativistic electrons inside a tokamak plasma. The study of these relativistic electrons is important to make sure they can be removed from any tokamak-based power reactor, as they could damage vessel walls and cooling lines. This diagnostic is completely new for magnetic fusion research and has never been implemented before on a tokamak. It is found that good signals and radial profiles could be obtained with an optimized high-energy (7 Joule) laser. Using a standard off-the-shelf Nd:YAG (0.7 Joule) laser would give some signals above the noise but no ability to measure the relativistic electron radial profile.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2008

Temporal Stability of Surface Roughness Effects on Radar Based Soil Moisture Retrieval During the Corn Growth Cycle

A representative soil surface roughness parameterization needed for the retrieval of soil moisture from active microwave satellite observation is difficult to obtain through either in-situ measurements or remote sensing-based inversion techniques. Typically, for the retrieval of soil moisture, temporal variations in surface roughness are assumed to be negligible. Although previous investigations have suggested that this assumption might be reasonable for natural vegetation covers (Moran et al. 2002, Thoma et al. 2006), insitu measurements over plowed agricultural fields (Callens et al. 2006) have shown that the soil surface roughness can change considerably over time. This paper reports on the temporal stability of surface roughness effects on radar observations and soil moisture retrieved from these radar observations collected once a week during a corn growth cycle (May 10th - October 2002). The data set employed was collected during the Optimizing Production Inputs for Economic and Environmental Enhancement (OPE3) field campaign covering this 2002 corn growth cycle and consists of dual-polarized (HH and VV) L-band (1.6 GHz) acquired at view angles of 15, 35, and 55 degrees. Cross-polarized L baud radar data were also collected as part of this experiment, but are not used in the analysis reported on here. After accounting for vegetation effects on radar observations, time-invariant optimum roughness parameters were determined using the Integral Equation Method (IEM) and radar observations acquired over bare soil and cropped conditions (the complete radar data set includes entire corn growth cycle). The optimum roughness parameters, soil moisture retrieval uncertainty, temporal distribution of retrieval errors and its relationship with the weather conditions (e.g. rainfall and wind speed) have been analyzed. It is shown that over the corn growth cycle, temporal roughness variations due to weathering by rain are responsible for almost 50% of soil moisture retrieval uncertainty depending on the sensing configuration. The effects of surface roughness variations are found to be smallest for observations acquired at a view angle of 55 degrees and HH polarization. A possible explanation for this result is that at 55 degrees and HH polarization the effect of vertical surface height changes on the observed radar response are limited because the microwaves travel parallel to the incident plane and as a result will not interact directly with vertically oriented soil structures.

Joseph, A.T.↗

NASA NTRS2011

Electromagnetic Scattering Analysis of Large Size Asteroids/Comets for Reflection/Transmission Tomography (RTT)

A precise knowledge of the interior structure of asteroids, comets, and Near Earth Objects (NEO) is important to assess the consequences of their impacts with the Earth and develop efficient mitigation strategies. Knowledge of their interior structure also provides opportunities for extraction of raw materials for future space activities. Low frequency radio sounding is often proposed for investigating interior structures of asteroids and NEOs. For designing and optimizing radio sounding instrument it is advantageous to have an accurate and efficient numerical simulation model of radio reflection and transmission through large size bodies of asteroid shapes. In this presentation we will present electromagnetic (EM) scattering analysis of electrically large size asteroids using (1) a weak form formulation and (2) also a more accurate hybrid finite element method/method of moments (FEM/MOM) to help estimate their internal structures. Assuming the internal structure with known electrical properties of a sample asteroid, we first develop its forward EM scattering model. From the knowledge of EM scattering as a function of frequency and look angle we will then present the inverse scattering procedure to extract its interior structure image. Validity of the inverse scattering procedure will be presented through few simulation examples.

Deshpande, Manohar↗

DOE OSTI2019

A Bayesian statistical approach to inferring particle dynamics from in-situ pump POC and chloropigment data from the Mediterranean Sea

Concentrations of chloropigments and particulate organic carbon (POC) in large-volume in-situ pump samples from the Mediterranean Sea were used to estimate rate constants of processes that control the fate of particles, and specifically chloropigments, in the water column. In this paper we introduce a Bayesian statistical inversion method that combines the data with a new box model and has the capacity to infer rate constants for POC respiration/dissolution, chlorophyll and pheopigment degradation, and particle aggregation and disaggregation. We use first-order kinetics to model disaggregation, and use both first-order and second-order kinetics to model aggregation. Using these methods, the estimated small-particle (1–70 μm) POC respiration rate constant was 2.44 -1.00 +1.69 yr -1 (0.41 yr). The estimated disaggregation and second-order aggregation rate constants were 85.6 -36.4 +63.4 yr -1 (1.17×10 -2 yr) and 2.78 -1.17 +2.01 μM -1 yr -1 , respectively. Using the optimal rate constants and the corresponding particle concentrations, disaggregation is ~4.2 times faster than the small-size POC dissolution rate, which indicates that disaggregation is a dominant processes at the time of sampling. More importantly, by comparing our results with those of previous studies, we conclude that sampling methods have less influence than tracers themselves on inferring particle dynamic rate constants. We previously introduced a somewhat similar approach to modeling SV sediment trap data, but large volume pumps are a much more common sample collection method in oceanographic surveys than SV sediment traps, and thus our new model should have a wider applicability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Comparison of Kill Switch Toxins in Plant-Beneficial Pseudomonas fluorescens Reveals Drivers of Lethality, Stability, and Escape

Kill switches provide a biocontainment strategy in which unwanted growth of an engineered microorganism is prevented by expression of a toxin gene. A major challenge in kill switch engineering is balancing evolutionary stability with robust cell killing activity in application relevant host strains. Understanding host-specific containment dynamics and modes of failure helps to develop potent yet stable kill switches. To guide the design of robust kill switches in the agriculturally relevant strain Pseudomonas fluorescens SBW25, we present a comparison of lethality, stability, and genetic escape of eight different toxic effectors in the presence of their cognate inactivators (i.e., toxin–antitoxin modules, polymorphic exotoxin–immunity systems, restriction endonuclease–methyltransferase pair). We find that cell killing capacity and evolutionary stability are inversely correlated and dependent on the level of protection provided by the inactivator gene. Decreasing the proteolytic stability of the inactivator protein can increase cell killing capacity, but at the cost of long-term circuit stability. By comparing toxins within the same genetic context, we determine that modes of genetic escape increase with circuit complexity and are driven by toxin activity, the protective capacity of the inactivator, and the presence of mutation-prone sequences within the circuit. Here, the results of our study reveal that circuit complexity, toxin choice, inactivator stability, and DNA sequence design are powerful drivers of kill switch stability and valuable targets for optimization of biocontainment systems.

59 BASIC BIOLOGICAL SCIENCES↗